USER MOD reduce.3.24.130724 H: found=0, std=0, add=705, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 706 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 88 SER OG : rot 66:sc= 0.211 USER MOD Set 1.2: A 90 LYS NZ :NH3+ -149:sc= -1.98! (180deg=-2.11) USER MOD Set 1.3: A 95 HIS : no HD1:sc= -1.33 K(o=-3.6,f=-4.4) USER MOD Set 1.4: A 99 SER OG : rot 180:sc= -0.518 USER MOD Set 2.1: A 59 SER OG : rot -80:sc= -0.66 USER MOD Set 2.2: A 80 GLN : amide:sc= -0.184 X(o=-0.84,f=-0.91) USER MOD Set 3.1: A 20 LYS NZ :NH3+ -140:sc= -1.81 (180deg=-3.49!) USER MOD Set 3.2: A 43 THR OG1 : rot -145:sc= -2.29! USER MOD Set 4.1: A 40 SER OG : rot -95:sc= 0.317 USER MOD Set 4.2: A 72 SER OG : rot -135:sc= 0.719 USER MOD Single : A 19 HIS : no HD1:sc=-0.00554 X(o=-0.0055,f=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 160:sc= -0.0199 (180deg=-0.297) USER MOD Single : A 73 CYS SG : rot 180:sc= -0.0657 USER MOD Single : A 76 SER OG : rot 180:sc= -0.354 USER MOD Single : A 77 TYR OH : rot 180:sc= -0.248 USER MOD Single : A 85 TYR OH : rot -17:sc= -0.364 USER MOD Single : A 92 ASN : amide:sc= -0.0511 K(o=-0.051,f=-1.7!) USER MOD Single : A 107 SER OG : rot 43:sc= 0.615 USER MOD Single : A 109 SER OG : rot 180:sc= -0.322 USER MOD Single : B 11 SER OG : rot 12:sc= -1.51 USER MOD Single : B 12 SER OG : rot -4:sc= 0.582! USER MOD Single : B 16 THR OG1 : rot 52:sc= 0.607 USER MOD ----------------------------------------------------------------- ATOM 227 N GLY A 16 113.192 6.823 28.939 1.00 2.21 N ATOM 228 CA GLY A 16 111.791 6.338 29.081 1.00 2.06 C ATOM 229 C GLY A 16 111.401 5.439 27.902 1.00 1.98 C ATOM 230 O GLY A 16 111.588 5.784 26.752 1.00 2.44 O ATOM 0 HA2 GLY A 16 111.686 5.786 30.015 1.00 2.06 H new ATOM 0 HA3 GLY A 16 111.111 7.188 29.135 1.00 2.06 H new ATOM 234 N GLY A 17 110.840 4.293 28.189 1.00 1.81 N ATOM 235 CA GLY A 17 110.409 3.364 27.105 1.00 1.74 C ATOM 236 C GLY A 17 111.624 2.738 26.426 1.00 1.78 C ATOM 237 O GLY A 17 111.737 1.534 26.312 1.00 1.80 O ATOM 0 H GLY A 17 110.661 3.959 29.136 1.00 1.81 H new ATOM 0 HA2 GLY A 17 109.773 2.582 27.519 1.00 1.74 H new ATOM 0 HA3 GLY A 17 109.812 3.904 26.370 1.00 1.74 H new ATOM 241 N ALA A 18 112.524 3.550 25.967 1.00 1.84 N ATOM 242 CA ALA A 18 113.739 3.021 25.277 1.00 1.96 C ATOM 243 C ALA A 18 114.348 1.877 26.087 1.00 2.07 C ATOM 244 O ALA A 18 115.211 1.163 25.616 1.00 2.21 O ATOM 245 CB ALA A 18 114.772 4.146 25.125 1.00 2.09 C ATOM 0 H ALA A 18 112.476 4.566 26.037 1.00 1.84 H new ATOM 0 HA ALA A 18 113.454 2.648 24.293 1.00 1.96 H new ATOM 0 HB1 ALA A 18 115.659 3.760 24.622 1.00 2.09 H new ATOM 0 HB2 ALA A 18 114.343 4.956 24.535 1.00 2.09 H new ATOM 0 HB3 ALA A 18 115.049 4.521 26.110 1.00 2.09 H new ATOM 251 N HIS A 19 113.921 1.703 27.305 1.00 2.06 N ATOM 252 CA HIS A 19 114.493 0.615 28.146 1.00 2.21 C ATOM 253 C HIS A 19 113.691 -0.680 27.959 1.00 2.15 C ATOM 254 O HIS A 19 114.251 -1.754 27.863 1.00 2.33 O ATOM 255 CB HIS A 19 114.444 1.048 29.616 1.00 2.33 C ATOM 256 CG HIS A 19 114.808 -0.109 30.509 1.00 2.51 C ATOM 257 ND1 HIS A 19 114.047 -0.456 31.614 1.00 2.79 N ATOM 258 CD2 HIS A 19 115.846 -1.006 30.472 1.00 2.86 C ATOM 259 CE1 HIS A 19 114.632 -1.520 32.192 1.00 2.87 C ATOM 260 NE2 HIS A 19 115.733 -1.897 31.536 1.00 2.87 N ATOM 0 H HIS A 19 113.200 2.267 27.756 1.00 2.06 H new ATOM 0 HA HIS A 19 115.525 0.429 27.847 1.00 2.21 H new ATOM 0 HB2 HIS A 19 115.133 1.876 29.782 1.00 2.33 H new ATOM 0 HB3 HIS A 19 113.446 1.409 29.864 1.00 2.33 H new ATOM 0 HD2 HIS A 19 116.631 -1.019 29.730 1.00 2.86 H new ATOM 0 HE1 HIS A 19 114.257 -2.010 33.079 1.00 2.87 H new ATOM 0 HE2 HIS A 19 116.357 -2.671 31.765 1.00 2.87 H new ATOM 268 N LYS A 20 112.387 -0.597 27.926 1.00 2.02 N ATOM 269 CA LYS A 20 111.560 -1.834 27.768 1.00 2.01 C ATOM 270 C LYS A 20 111.227 -2.077 26.294 1.00 1.90 C ATOM 271 O LYS A 20 110.694 -3.109 25.937 1.00 1.96 O ATOM 272 CB LYS A 20 110.256 -1.672 28.561 1.00 1.99 C ATOM 273 CG LYS A 20 109.489 -0.404 28.099 1.00 1.81 C ATOM 274 CD LYS A 20 108.352 -0.782 27.128 1.00 1.74 C ATOM 275 CE LYS A 20 107.558 0.473 26.703 1.00 1.58 C ATOM 276 NZ LYS A 20 106.101 0.204 26.859 1.00 1.94 N ATOM 0 H LYS A 20 111.858 0.272 28.001 1.00 2.02 H new ATOM 0 HA LYS A 20 112.127 -2.686 28.143 1.00 2.01 H new ATOM 0 HB2 LYS A 20 109.629 -2.553 28.424 1.00 1.99 H new ATOM 0 HB3 LYS A 20 110.478 -1.601 29.626 1.00 1.99 H new ATOM 0 HG2 LYS A 20 109.078 0.115 28.965 1.00 1.81 H new ATOM 0 HG3 LYS A 20 110.177 0.286 27.611 1.00 1.81 H new ATOM 0 HD2 LYS A 20 108.767 -1.272 26.247 1.00 1.74 H new ATOM 0 HD3 LYS A 20 107.683 -1.498 27.605 1.00 1.74 H new ATOM 0 HE2 LYS A 20 107.850 1.327 27.314 1.00 1.58 H new ATOM 0 HE3 LYS A 20 107.784 0.729 25.668 1.00 1.58 H new ATOM 0 HZ1 LYS A 20 105.584 0.619 26.058 1.00 1.94 H new ATOM 0 HZ2 LYS A 20 105.938 -0.823 26.882 1.00 1.94 H new ATOM 0 HZ3 LYS A 20 105.763 0.628 27.746 1.00 1.94 H new ATOM 290 N VAL A 21 111.519 -1.141 25.432 1.00 1.80 N ATOM 291 CA VAL A 21 111.194 -1.342 23.988 1.00 1.71 C ATOM 292 C VAL A 21 112.296 -2.151 23.304 1.00 1.76 C ATOM 293 O VAL A 21 113.407 -1.693 23.124 1.00 1.81 O ATOM 294 CB VAL A 21 111.046 0.017 23.297 1.00 1.64 C ATOM 295 CG1 VAL A 21 110.862 -0.189 21.791 1.00 2.07 C ATOM 296 CG2 VAL A 21 109.818 0.739 23.856 1.00 1.75 C ATOM 0 H VAL A 21 111.965 -0.253 25.661 1.00 1.80 H new ATOM 0 HA VAL A 21 110.255 -1.891 23.912 1.00 1.71 H new ATOM 0 HB VAL A 21 111.941 0.613 23.478 1.00 1.64 H new ATOM 0 HG11 VAL A 21 110.757 0.779 21.301 1.00 2.07 H new ATOM 0 HG12 VAL A 21 111.731 -0.708 21.386 1.00 2.07 H new ATOM 0 HG13 VAL A 21 109.967 -0.785 21.612 1.00 2.07 H new ATOM 0 HG21 VAL A 21 109.710 1.707 23.366 1.00 1.75 H new ATOM 0 HG22 VAL A 21 108.927 0.138 23.672 1.00 1.75 H new ATOM 0 HG23 VAL A 21 109.940 0.887 24.929 1.00 1.75 H new ATOM 306 N ARG A 22 111.976 -3.353 22.907 1.00 1.78 N ATOM 307 CA ARG A 22 112.965 -4.224 22.209 1.00 1.85 C ATOM 308 C ARG A 22 112.635 -4.215 20.720 1.00 1.74 C ATOM 309 O ARG A 22 111.485 -4.241 20.340 1.00 1.66 O ATOM 310 CB ARG A 22 112.845 -5.648 22.765 1.00 1.96 C ATOM 311 CG ARG A 22 113.741 -6.614 21.974 1.00 2.03 C ATOM 312 CD ARG A 22 115.195 -6.129 22.006 1.00 2.18 C ATOM 313 NE ARG A 22 116.105 -7.279 21.741 1.00 2.75 N ATOM 314 CZ ARG A 22 117.355 -7.066 21.434 1.00 3.10 C ATOM 315 NH1 ARG A 22 117.810 -5.844 21.361 1.00 3.50 N ATOM 316 NH2 ARG A 22 118.151 -8.073 21.200 1.00 3.33 N ATOM 0 H ARG A 22 111.057 -3.775 23.039 1.00 1.78 H new ATOM 0 HA ARG A 22 113.982 -3.864 22.364 1.00 1.85 H new ATOM 0 HB2 ARG A 22 113.129 -5.659 23.817 1.00 1.96 H new ATOM 0 HB3 ARG A 22 111.808 -5.979 22.712 1.00 1.96 H new ATOM 0 HG2 ARG A 22 113.674 -7.615 22.399 1.00 2.03 H new ATOM 0 HG3 ARG A 22 113.395 -6.682 20.943 1.00 2.03 H new ATOM 0 HD2 ARG A 22 115.347 -5.351 21.258 1.00 2.18 H new ATOM 0 HD3 ARG A 22 115.422 -5.687 22.976 1.00 2.18 H new ATOM 0 HE ARG A 22 115.750 -8.234 21.800 1.00 2.75 H new ATOM 0 HH11 ARG A 22 117.188 -5.056 21.544 1.00 3.50 H new ATOM 0 HH12 ARG A 22 118.787 -5.677 21.121 1.00 3.50 H new ATOM 0 HH21 ARG A 22 117.796 -9.028 21.257 1.00 3.33 H new ATOM 0 HH22 ARG A 22 119.128 -7.906 20.960 1.00 3.33 H new ATOM 330 N ALA A 23 113.630 -4.170 19.871 1.00 1.77 N ATOM 331 CA ALA A 23 113.365 -4.150 18.399 1.00 1.68 C ATOM 332 C ALA A 23 114.386 -5.032 17.681 1.00 1.77 C ATOM 333 O ALA A 23 115.564 -4.739 17.644 1.00 1.83 O ATOM 334 CB ALA A 23 113.484 -2.714 17.884 1.00 1.59 C ATOM 0 H ALA A 23 114.615 -4.146 20.133 1.00 1.77 H new ATOM 0 HA ALA A 23 112.361 -4.528 18.206 1.00 1.68 H new ATOM 0 HB1 ALA A 23 113.292 -2.695 16.811 1.00 1.59 H new ATOM 0 HB2 ALA A 23 112.756 -2.083 18.394 1.00 1.59 H new ATOM 0 HB3 ALA A 23 114.489 -2.340 18.079 1.00 1.59 H new ATOM 340 N GLY A 24 113.934 -6.111 17.106 1.00 1.80 N ATOM 341 CA GLY A 24 114.861 -7.026 16.377 1.00 1.90 C ATOM 342 C GLY A 24 114.072 -7.822 15.334 1.00 1.86 C ATOM 343 O GLY A 24 113.041 -8.394 15.629 1.00 1.86 O ATOM 0 H GLY A 24 112.956 -6.402 17.109 1.00 1.80 H new ATOM 0 HA2 GLY A 24 115.650 -6.452 15.892 1.00 1.90 H new ATOM 0 HA3 GLY A 24 115.346 -7.705 17.078 1.00 1.90 H new ATOM 347 N GLY A 25 114.542 -7.862 14.115 1.00 1.85 N ATOM 348 CA GLY A 25 113.807 -8.622 13.063 1.00 1.84 C ATOM 349 C GLY A 25 114.575 -8.553 11.741 1.00 1.84 C ATOM 350 O GLY A 25 115.488 -7.767 11.581 1.00 1.84 O ATOM 0 H GLY A 25 115.399 -7.404 13.804 1.00 1.85 H new ATOM 0 HA2 GLY A 25 113.686 -9.661 13.370 1.00 1.84 H new ATOM 0 HA3 GLY A 25 112.807 -8.209 12.935 1.00 1.84 H new ATOM 354 N THR A 26 114.209 -9.371 10.790 1.00 1.86 N ATOM 355 CA THR A 26 114.914 -9.356 9.476 1.00 1.87 C ATOM 356 C THR A 26 114.495 -8.114 8.686 1.00 1.75 C ATOM 357 O THR A 26 115.241 -7.598 7.873 1.00 1.76 O ATOM 358 CB THR A 26 114.541 -10.611 8.684 1.00 1.96 C ATOM 359 OG1 THR A 26 114.686 -11.754 9.516 1.00 2.31 O ATOM 360 CG2 THR A 26 115.461 -10.742 7.469 1.00 2.29 C ATOM 0 H THR A 26 113.451 -10.049 10.867 1.00 1.86 H new ATOM 0 HA THR A 26 115.991 -9.336 9.642 1.00 1.87 H new ATOM 0 HB THR A 26 113.507 -10.535 8.347 1.00 1.96 H new ATOM 0 HG1 THR A 26 114.446 -12.559 9.011 1.00 2.31 H new ATOM 0 HG21 THR A 26 115.195 -11.636 6.906 1.00 2.29 H new ATOM 0 HG22 THR A 26 115.349 -9.865 6.832 1.00 2.29 H new ATOM 0 HG23 THR A 26 116.496 -10.818 7.803 1.00 2.29 H new ATOM 368 N GLY A 27 113.308 -7.626 8.920 1.00 1.64 N ATOM 369 CA GLY A 27 112.843 -6.419 8.185 1.00 1.54 C ATOM 370 C GLY A 27 113.622 -5.204 8.678 1.00 1.50 C ATOM 371 O GLY A 27 113.746 -4.209 7.992 1.00 1.46 O ATOM 0 H GLY A 27 112.641 -8.012 9.588 1.00 1.64 H new ATOM 0 HA2 GLY A 27 112.991 -6.551 7.113 1.00 1.54 H new ATOM 0 HA3 GLY A 27 111.775 -6.271 8.343 1.00 1.54 H new ATOM 375 N LEU A 28 114.154 -5.282 9.865 1.00 1.57 N ATOM 376 CA LEU A 28 114.933 -4.138 10.407 1.00 1.59 C ATOM 377 C LEU A 28 116.315 -4.123 9.752 1.00 1.69 C ATOM 378 O LEU A 28 117.070 -3.182 9.891 1.00 1.83 O ATOM 379 CB LEU A 28 115.081 -4.302 11.925 1.00 1.65 C ATOM 380 CG LEU A 28 113.772 -3.900 12.634 1.00 1.58 C ATOM 381 CD1 LEU A 28 113.721 -4.545 14.022 1.00 1.66 C ATOM 382 CD2 LEU A 28 113.691 -2.374 12.794 1.00 1.61 C ATOM 0 H LEU A 28 114.082 -6.090 10.483 1.00 1.57 H new ATOM 0 HA LEU A 28 114.418 -3.201 10.194 1.00 1.59 H new ATOM 0 HB2 LEU A 28 115.330 -5.336 12.164 1.00 1.65 H new ATOM 0 HB3 LEU A 28 115.903 -3.685 12.286 1.00 1.65 H new ATOM 0 HG LEU A 28 112.933 -4.242 12.028 1.00 1.58 H new ATOM 0 HD11 LEU A 28 112.795 -4.260 14.522 1.00 1.66 H new ATOM 0 HD12 LEU A 28 113.760 -5.630 13.921 1.00 1.66 H new ATOM 0 HD13 LEU A 28 114.572 -4.205 14.613 1.00 1.66 H new ATOM 0 HD21 LEU A 28 112.760 -2.110 13.296 1.00 1.61 H new ATOM 0 HD22 LEU A 28 114.536 -2.025 13.388 1.00 1.61 H new ATOM 0 HD23 LEU A 28 113.719 -1.903 11.811 1.00 1.61 H new ATOM 394 N GLU A 29 116.650 -5.164 9.037 1.00 1.73 N ATOM 395 CA GLU A 29 117.982 -5.222 8.367 1.00 1.84 C ATOM 396 C GLU A 29 117.874 -4.621 6.964 1.00 1.75 C ATOM 397 O GLU A 29 118.638 -3.752 6.594 1.00 1.78 O ATOM 398 CB GLU A 29 118.435 -6.679 8.269 1.00 2.00 C ATOM 399 CG GLU A 29 118.395 -7.318 9.658 1.00 2.06 C ATOM 400 CD GLU A 29 119.142 -8.653 9.628 1.00 1.98 C ATOM 401 OE1 GLU A 29 119.309 -9.191 8.545 1.00 2.21 O ATOM 402 OE2 GLU A 29 119.534 -9.114 10.687 1.00 2.34 O ATOM 0 H GLU A 29 116.056 -5.980 8.888 1.00 1.73 H new ATOM 0 HA GLU A 29 118.709 -4.654 8.947 1.00 1.84 H new ATOM 0 HB2 GLU A 29 117.787 -7.228 7.585 1.00 2.00 H new ATOM 0 HB3 GLU A 29 119.445 -6.731 7.862 1.00 2.00 H new ATOM 0 HG2 GLU A 29 118.850 -6.651 10.390 1.00 2.06 H new ATOM 0 HG3 GLU A 29 117.362 -7.474 9.968 1.00 2.06 H new ATOM 409 N ARG A 30 116.934 -5.072 6.176 1.00 1.69 N ATOM 410 CA ARG A 30 116.795 -4.512 4.799 1.00 1.64 C ATOM 411 C ARG A 30 115.479 -4.987 4.170 1.00 1.59 C ATOM 412 O ARG A 30 114.626 -5.542 4.833 1.00 1.61 O ATOM 413 CB ARG A 30 117.984 -4.963 3.933 1.00 1.75 C ATOM 414 CG ARG A 30 118.368 -6.413 4.263 1.00 2.21 C ATOM 415 CD ARG A 30 117.181 -7.346 3.999 1.00 2.47 C ATOM 416 NE ARG A 30 117.656 -8.769 3.918 1.00 2.96 N ATOM 417 CZ ARG A 30 118.524 -9.158 3.021 1.00 3.36 C ATOM 418 NH1 ARG A 30 118.895 -8.353 2.063 1.00 3.77 N ATOM 419 NH2 ARG A 30 118.988 -10.377 3.058 1.00 3.76 N ATOM 0 H ARG A 30 116.261 -5.798 6.423 1.00 1.69 H new ATOM 0 HA ARG A 30 116.786 -3.423 4.855 1.00 1.64 H new ATOM 0 HB2 ARG A 30 117.725 -4.880 2.877 1.00 1.75 H new ATOM 0 HB3 ARG A 30 118.837 -4.306 4.105 1.00 1.75 H new ATOM 0 HG2 ARG A 30 119.222 -6.718 3.658 1.00 2.21 H new ATOM 0 HG3 ARG A 30 118.674 -6.488 5.306 1.00 2.21 H new ATOM 0 HD2 ARG A 30 116.444 -7.245 4.795 1.00 2.47 H new ATOM 0 HD3 ARG A 30 116.687 -7.065 3.069 1.00 2.47 H new ATOM 0 HE ARG A 30 117.291 -9.452 4.582 1.00 2.96 H new ATOM 0 HH11 ARG A 30 118.507 -7.411 2.009 1.00 3.77 H new ATOM 0 HH12 ARG A 30 119.573 -8.666 1.368 1.00 3.77 H new ATOM 0 HH21 ARG A 30 118.673 -11.021 3.784 1.00 3.76 H new ATOM 0 HH22 ARG A 30 119.665 -10.686 2.361 1.00 3.76 H new ATOM 433 N GLY A 31 115.314 -4.772 2.890 1.00 1.54 N ATOM 434 CA GLY A 31 114.063 -5.207 2.206 1.00 1.52 C ATOM 435 C GLY A 31 114.374 -5.441 0.730 1.00 1.55 C ATOM 436 O GLY A 31 115.493 -5.254 0.295 1.00 1.57 O ATOM 0 H GLY A 31 115.996 -4.311 2.288 1.00 1.54 H new ATOM 0 HA2 GLY A 31 113.680 -6.120 2.662 1.00 1.52 H new ATOM 0 HA3 GLY A 31 113.289 -4.448 2.314 1.00 1.52 H new ATOM 440 N VAL A 32 113.402 -5.857 -0.050 1.00 1.56 N ATOM 441 CA VAL A 32 113.658 -6.110 -1.506 1.00 1.60 C ATOM 442 C VAL A 32 112.541 -5.495 -2.368 1.00 1.53 C ATOM 443 O VAL A 32 111.411 -5.353 -1.946 1.00 1.50 O ATOM 444 CB VAL A 32 113.751 -7.626 -1.729 1.00 1.75 C ATOM 445 CG1 VAL A 32 113.692 -7.961 -3.225 1.00 1.80 C ATOM 446 CG2 VAL A 32 115.068 -8.146 -1.145 1.00 1.83 C ATOM 0 H VAL A 32 112.445 -6.032 0.258 1.00 1.56 H new ATOM 0 HA VAL A 32 114.595 -5.640 -1.804 1.00 1.60 H new ATOM 0 HB VAL A 32 112.907 -8.103 -1.231 1.00 1.75 H new ATOM 0 HG11 VAL A 32 113.760 -9.041 -3.359 1.00 1.80 H new ATOM 0 HG12 VAL A 32 112.751 -7.602 -3.641 1.00 1.80 H new ATOM 0 HG13 VAL A 32 114.524 -7.479 -3.739 1.00 1.80 H new ATOM 0 HG21 VAL A 32 115.136 -9.222 -1.302 1.00 1.83 H new ATOM 0 HG22 VAL A 32 115.905 -7.653 -1.640 1.00 1.83 H new ATOM 0 HG23 VAL A 32 115.102 -7.933 -0.077 1.00 1.83 H new ATOM 456 N ALA A 33 112.880 -5.117 -3.577 1.00 1.51 N ATOM 457 CA ALA A 33 111.889 -4.486 -4.510 1.00 1.46 C ATOM 458 C ALA A 33 110.493 -5.135 -4.411 1.00 1.53 C ATOM 459 O ALA A 33 110.280 -6.253 -4.837 1.00 1.64 O ATOM 460 CB ALA A 33 112.413 -4.621 -5.962 1.00 1.51 C ATOM 0 H ALA A 33 113.818 -5.220 -3.965 1.00 1.51 H new ATOM 0 HA ALA A 33 111.783 -3.439 -4.227 1.00 1.46 H new ATOM 0 HB1 ALA A 33 111.700 -4.166 -6.650 1.00 1.51 H new ATOM 0 HB2 ALA A 33 113.375 -4.117 -6.050 1.00 1.51 H new ATOM 0 HB3 ALA A 33 112.532 -5.676 -6.209 1.00 1.51 H new ATOM 466 N GLY A 34 109.538 -4.404 -3.903 1.00 1.46 N ATOM 467 CA GLY A 34 108.138 -4.912 -3.824 1.00 1.52 C ATOM 468 C GLY A 34 108.078 -6.261 -3.121 1.00 1.62 C ATOM 469 O GLY A 34 107.494 -7.199 -3.626 1.00 1.73 O ATOM 0 H GLY A 34 109.671 -3.462 -3.534 1.00 1.46 H new ATOM 0 HA2 GLY A 34 107.518 -4.193 -3.289 1.00 1.52 H new ATOM 0 HA3 GLY A 34 107.725 -5.004 -4.829 1.00 1.52 H new ATOM 473 N VAL A 35 108.663 -6.367 -1.956 1.00 1.59 N ATOM 474 CA VAL A 35 108.628 -7.657 -1.202 1.00 1.69 C ATOM 475 C VAL A 35 108.112 -7.389 0.232 1.00 1.61 C ATOM 476 O VAL A 35 108.863 -6.891 1.046 1.00 1.55 O ATOM 477 CB VAL A 35 110.049 -8.235 -1.144 1.00 1.77 C ATOM 478 CG1 VAL A 35 110.132 -9.340 -0.084 1.00 2.04 C ATOM 479 CG2 VAL A 35 110.406 -8.826 -2.514 1.00 2.19 C ATOM 0 H VAL A 35 109.166 -5.611 -1.491 1.00 1.59 H new ATOM 0 HA VAL A 35 107.966 -8.367 -1.697 1.00 1.69 H new ATOM 0 HB VAL A 35 110.746 -7.439 -0.883 1.00 1.77 H new ATOM 0 HG11 VAL A 35 111.145 -9.740 -0.054 1.00 2.04 H new ATOM 0 HG12 VAL A 35 109.876 -8.928 0.892 1.00 2.04 H new ATOM 0 HG13 VAL A 35 109.434 -10.138 -0.335 1.00 2.04 H new ATOM 0 HG21 VAL A 35 111.414 -9.239 -2.481 1.00 2.19 H new ATOM 0 HG22 VAL A 35 109.699 -9.616 -2.765 1.00 2.19 H new ATOM 0 HG23 VAL A 35 110.359 -8.043 -3.271 1.00 2.19 H new ATOM 489 N PRO A 36 106.858 -7.711 0.526 1.00 1.67 N ATOM 490 CA PRO A 36 106.321 -7.472 1.878 1.00 1.61 C ATOM 491 C PRO A 36 107.169 -8.229 2.907 1.00 1.61 C ATOM 492 O PRO A 36 107.480 -9.391 2.734 1.00 1.74 O ATOM 493 CB PRO A 36 104.864 -7.995 1.833 1.00 1.76 C ATOM 494 CG PRO A 36 104.565 -8.403 0.362 1.00 1.96 C ATOM 495 CD PRO A 36 105.895 -8.321 -0.421 1.00 1.85 C ATOM 0 HA PRO A 36 106.346 -6.422 2.169 1.00 1.61 H new ATOM 0 HB2 PRO A 36 104.741 -8.847 2.501 1.00 1.76 H new ATOM 0 HB3 PRO A 36 104.169 -7.225 2.167 1.00 1.76 H new ATOM 0 HG2 PRO A 36 104.156 -9.413 0.319 1.00 1.96 H new ATOM 0 HG3 PRO A 36 103.820 -7.739 -0.076 1.00 1.96 H new ATOM 0 HD2 PRO A 36 106.227 -9.309 -0.740 1.00 1.85 H new ATOM 0 HD3 PRO A 36 105.787 -7.715 -1.320 1.00 1.85 H new ATOM 503 N ALA A 37 107.546 -7.576 3.975 1.00 1.53 N ATOM 504 CA ALA A 37 108.378 -8.251 5.018 1.00 1.62 C ATOM 505 C ALA A 37 107.926 -7.772 6.393 1.00 1.53 C ATOM 506 O ALA A 37 106.910 -7.120 6.524 1.00 1.52 O ATOM 507 CB ALA A 37 109.851 -7.892 4.810 1.00 1.69 C ATOM 0 H ALA A 37 107.314 -6.602 4.171 1.00 1.53 H new ATOM 0 HA ALA A 37 108.260 -9.332 4.944 1.00 1.62 H new ATOM 0 HB1 ALA A 37 110.456 -8.385 5.571 1.00 1.69 H new ATOM 0 HB2 ALA A 37 110.170 -8.223 3.822 1.00 1.69 H new ATOM 0 HB3 ALA A 37 109.977 -6.812 4.889 1.00 1.69 H new ATOM 513 N GLU A 38 108.661 -8.085 7.424 1.00 1.50 N ATOM 514 CA GLU A 38 108.237 -7.631 8.773 1.00 1.45 C ATOM 515 C GLU A 38 109.335 -7.862 9.803 1.00 1.50 C ATOM 516 O GLU A 38 110.271 -8.610 9.595 1.00 1.60 O ATOM 517 CB GLU A 38 106.975 -8.399 9.200 1.00 1.54 C ATOM 518 CG GLU A 38 107.336 -9.836 9.603 1.00 1.68 C ATOM 519 CD GLU A 38 106.076 -10.705 9.601 1.00 1.83 C ATOM 520 OE1 GLU A 38 105.082 -10.274 10.162 1.00 2.23 O ATOM 521 OE2 GLU A 38 106.127 -11.787 9.040 1.00 2.12 O ATOM 0 H GLU A 38 109.524 -8.628 7.391 1.00 1.50 H new ATOM 0 HA GLU A 38 108.030 -6.562 8.722 1.00 1.45 H new ATOM 0 HB2 GLU A 38 106.496 -7.889 10.036 1.00 1.54 H new ATOM 0 HB3 GLU A 38 106.256 -8.414 8.381 1.00 1.54 H new ATOM 0 HG2 GLU A 38 108.072 -10.244 8.910 1.00 1.68 H new ATOM 0 HG3 GLU A 38 107.792 -9.843 10.593 1.00 1.68 H new ATOM 528 N PHE A 39 109.189 -7.237 10.937 1.00 1.46 N ATOM 529 CA PHE A 39 110.165 -7.410 12.041 1.00 1.54 C ATOM 530 C PHE A 39 109.359 -7.517 13.326 1.00 1.53 C ATOM 531 O PHE A 39 108.143 -7.536 13.297 1.00 1.50 O ATOM 532 CB PHE A 39 111.139 -6.224 12.117 1.00 1.54 C ATOM 533 CG PHE A 39 110.424 -4.924 11.820 1.00 1.31 C ATOM 534 CD1 PHE A 39 109.973 -4.659 10.526 1.00 1.36 C ATOM 535 CD2 PHE A 39 110.231 -3.977 12.835 1.00 1.34 C ATOM 536 CE1 PHE A 39 109.324 -3.452 10.241 1.00 1.32 C ATOM 537 CE2 PHE A 39 109.585 -2.768 12.550 1.00 1.37 C ATOM 538 CZ PHE A 39 109.131 -2.507 11.253 1.00 1.30 C ATOM 0 H PHE A 39 108.419 -6.602 11.146 1.00 1.46 H new ATOM 0 HA PHE A 39 110.769 -8.302 11.877 1.00 1.54 H new ATOM 0 HB2 PHE A 39 111.588 -6.179 13.109 1.00 1.54 H new ATOM 0 HB3 PHE A 39 111.952 -6.368 11.405 1.00 1.54 H new ATOM 0 HD1 PHE A 39 110.125 -5.387 9.743 1.00 1.36 H new ATOM 0 HD2 PHE A 39 110.580 -4.180 13.837 1.00 1.34 H new ATOM 0 HE1 PHE A 39 108.973 -3.251 9.240 1.00 1.32 H new ATOM 0 HE2 PHE A 39 109.437 -2.037 13.331 1.00 1.37 H new ATOM 0 HZ PHE A 39 108.631 -1.575 11.033 1.00 1.30 H new ATOM 548 N SER A 40 110.015 -7.601 14.446 1.00 1.60 N ATOM 549 CA SER A 40 109.281 -7.729 15.746 1.00 1.61 C ATOM 550 C SER A 40 109.664 -6.586 16.686 1.00 1.59 C ATOM 551 O SER A 40 110.783 -6.113 16.690 1.00 1.64 O ATOM 552 CB SER A 40 109.652 -9.060 16.400 1.00 1.73 C ATOM 553 OG SER A 40 108.989 -9.168 17.653 1.00 2.37 O ATOM 0 H SER A 40 111.032 -7.587 14.524 1.00 1.60 H new ATOM 0 HA SER A 40 108.209 -7.688 15.555 1.00 1.61 H new ATOM 0 HB2 SER A 40 109.367 -9.889 15.752 1.00 1.73 H new ATOM 0 HB3 SER A 40 110.731 -9.121 16.540 1.00 1.73 H new ATOM 0 HG SER A 40 109.587 -8.864 18.367 1.00 2.37 H new ATOM 559 N ILE A 41 108.736 -6.154 17.500 1.00 1.54 N ATOM 560 CA ILE A 41 109.016 -5.057 18.471 1.00 1.54 C ATOM 561 C ILE A 41 108.265 -5.370 19.767 1.00 1.60 C ATOM 562 O ILE A 41 107.088 -5.104 19.899 1.00 1.65 O ATOM 563 CB ILE A 41 108.550 -3.708 17.897 1.00 1.45 C ATOM 564 CG1 ILE A 41 109.546 -3.245 16.826 1.00 1.47 C ATOM 565 CG2 ILE A 41 108.492 -2.657 19.016 1.00 1.50 C ATOM 566 CD1 ILE A 41 108.981 -2.039 16.069 1.00 1.34 C ATOM 0 H ILE A 41 107.785 -6.520 17.533 1.00 1.54 H new ATOM 0 HA ILE A 41 110.087 -4.988 18.664 1.00 1.54 H new ATOM 0 HB ILE A 41 107.559 -3.826 17.460 1.00 1.45 H new ATOM 0 HG12 ILE A 41 110.495 -2.980 17.291 1.00 1.47 H new ATOM 0 HG13 ILE A 41 109.748 -4.059 16.130 1.00 1.47 H new ATOM 0 HG21 ILE A 41 108.161 -1.704 18.603 1.00 1.50 H new ATOM 0 HG22 ILE A 41 107.791 -2.982 19.785 1.00 1.50 H new ATOM 0 HG23 ILE A 41 109.482 -2.538 19.455 1.00 1.50 H new ATOM 0 HD11 ILE A 41 109.695 -1.718 15.311 1.00 1.34 H new ATOM 0 HD12 ILE A 41 108.043 -2.318 15.589 1.00 1.34 H new ATOM 0 HD13 ILE A 41 108.802 -1.222 16.768 1.00 1.34 H new ATOM 578 N TRP A 42 108.940 -5.947 20.719 1.00 1.65 N ATOM 579 CA TRP A 42 108.280 -6.296 22.009 1.00 1.71 C ATOM 580 C TRP A 42 108.345 -5.080 22.945 1.00 1.77 C ATOM 581 O TRP A 42 109.303 -4.332 22.943 1.00 1.78 O ATOM 582 CB TRP A 42 109.014 -7.515 22.609 1.00 1.88 C ATOM 583 CG TRP A 42 108.961 -7.504 24.111 1.00 2.08 C ATOM 584 CD1 TRP A 42 109.693 -6.690 24.907 1.00 2.66 C ATOM 585 CD2 TRP A 42 108.153 -8.328 25.001 1.00 2.36 C ATOM 586 NE1 TRP A 42 109.383 -6.960 26.228 1.00 2.89 N ATOM 587 CE2 TRP A 42 108.439 -7.962 26.337 1.00 2.64 C ATOM 588 CE3 TRP A 42 107.208 -9.346 24.781 1.00 3.00 C ATOM 589 CZ2 TRP A 42 107.811 -8.583 27.417 1.00 3.08 C ATOM 590 CZ3 TRP A 42 106.574 -9.974 25.866 1.00 3.68 C ATOM 591 CH2 TRP A 42 106.875 -9.593 27.181 1.00 3.56 C ATOM 0 H TRP A 42 109.928 -6.194 20.660 1.00 1.65 H new ATOM 0 HA TRP A 42 107.231 -6.554 21.864 1.00 1.71 H new ATOM 0 HB2 TRP A 42 108.563 -8.434 22.234 1.00 1.88 H new ATOM 0 HB3 TRP A 42 110.053 -7.514 22.280 1.00 1.88 H new ATOM 0 HD1 TRP A 42 110.403 -5.951 24.567 1.00 2.66 H new ATOM 0 HE1 TRP A 42 109.801 -6.478 27.024 1.00 2.89 H new ATOM 0 HE3 TRP A 42 106.968 -9.647 23.772 1.00 3.00 H new ATOM 0 HZ2 TRP A 42 108.047 -8.285 28.428 1.00 3.08 H new ATOM 0 HZ3 TRP A 42 105.850 -10.755 25.686 1.00 3.68 H new ATOM 0 HH2 TRP A 42 106.384 -10.080 28.011 1.00 3.56 H new ATOM 602 N THR A 43 107.331 -4.881 23.741 1.00 1.91 N ATOM 603 CA THR A 43 107.328 -3.719 24.673 1.00 2.07 C ATOM 604 C THR A 43 106.187 -3.881 25.683 1.00 1.92 C ATOM 605 O THR A 43 106.089 -4.882 26.365 1.00 2.17 O ATOM 606 CB THR A 43 107.130 -2.427 23.870 1.00 2.42 C ATOM 607 OG1 THR A 43 106.859 -1.353 24.759 1.00 2.72 O ATOM 608 CG2 THR A 43 105.961 -2.597 22.896 1.00 2.89 C ATOM 0 H THR A 43 106.503 -5.474 23.786 1.00 1.91 H new ATOM 0 HA THR A 43 108.277 -3.672 25.207 1.00 2.07 H new ATOM 0 HB THR A 43 108.037 -2.210 23.306 1.00 2.42 H new ATOM 0 HG1 THR A 43 106.227 -0.733 24.340 1.00 2.72 H new ATOM 0 HG21 THR A 43 105.824 -1.677 22.328 1.00 2.89 H new ATOM 0 HG22 THR A 43 106.174 -3.418 22.211 1.00 2.89 H new ATOM 0 HG23 THR A 43 105.051 -2.817 23.454 1.00 2.89 H new ATOM 616 N ARG A 44 105.325 -2.907 25.782 1.00 1.96 N ATOM 617 CA ARG A 44 104.189 -3.005 26.743 1.00 1.92 C ATOM 618 C ARG A 44 104.727 -3.217 28.160 1.00 1.92 C ATOM 619 O ARG A 44 104.706 -4.312 28.686 1.00 2.18 O ATOM 620 CB ARG A 44 103.291 -4.183 26.353 1.00 2.09 C ATOM 621 CG ARG A 44 101.945 -4.061 27.069 1.00 2.62 C ATOM 622 CD ARG A 44 101.036 -5.217 26.648 1.00 3.00 C ATOM 623 NE ARG A 44 99.738 -5.118 27.373 1.00 3.63 N ATOM 624 CZ ARG A 44 98.708 -5.808 26.966 1.00 4.14 C ATOM 625 NH1 ARG A 44 98.814 -6.583 25.921 1.00 4.51 N ATOM 626 NH2 ARG A 44 97.572 -5.722 27.602 1.00 4.63 N ATOM 0 H ARG A 44 105.358 -2.045 25.238 1.00 1.96 H new ATOM 0 HA ARG A 44 103.611 -2.081 26.714 1.00 1.92 H new ATOM 0 HB2 ARG A 44 103.140 -4.197 25.274 1.00 2.09 H new ATOM 0 HB3 ARG A 44 103.772 -5.124 26.620 1.00 2.09 H new ATOM 0 HG2 ARG A 44 102.093 -4.075 28.149 1.00 2.62 H new ATOM 0 HG3 ARG A 44 101.476 -3.108 26.824 1.00 2.62 H new ATOM 0 HD2 ARG A 44 100.867 -5.187 25.572 1.00 3.00 H new ATOM 0 HD3 ARG A 44 101.516 -6.170 26.869 1.00 3.00 H new ATOM 0 HE ARG A 44 99.655 -4.510 28.188 1.00 3.63 H new ATOM 0 HH11 ARG A 44 99.702 -6.649 25.423 1.00 4.51 H new ATOM 0 HH12 ARG A 44 98.009 -7.123 25.602 1.00 4.51 H new ATOM 0 HH21 ARG A 44 97.489 -5.115 28.418 1.00 4.63 H new ATOM 0 HH22 ARG A 44 96.767 -6.262 27.284 1.00 4.63 H new ATOM 640 N GLU A 45 105.204 -2.174 28.784 1.00 1.87 N ATOM 641 CA GLU A 45 105.736 -2.312 30.170 1.00 1.94 C ATOM 642 C GLU A 45 105.773 -0.932 30.833 1.00 1.84 C ATOM 643 O GLU A 45 105.357 -0.765 31.963 1.00 1.87 O ATOM 644 CB GLU A 45 107.151 -2.901 30.124 1.00 2.09 C ATOM 645 CG GLU A 45 107.520 -3.463 31.499 1.00 2.37 C ATOM 646 CD GLU A 45 108.971 -3.945 31.481 1.00 2.40 C ATOM 647 OE1 GLU A 45 109.267 -4.844 30.711 1.00 2.89 O ATOM 648 OE2 GLU A 45 109.763 -3.407 32.238 1.00 2.73 O ATOM 0 H GLU A 45 105.248 -1.233 28.394 1.00 1.87 H new ATOM 0 HA GLU A 45 105.092 -2.977 30.745 1.00 1.94 H new ATOM 0 HB2 GLU A 45 107.203 -3.689 29.372 1.00 2.09 H new ATOM 0 HB3 GLU A 45 107.866 -2.132 29.831 1.00 2.09 H new ATOM 0 HG2 GLU A 45 107.390 -2.697 32.263 1.00 2.37 H new ATOM 0 HG3 GLU A 45 106.855 -4.287 31.757 1.00 2.37 H new ATOM 655 N ALA A 46 106.263 0.059 30.138 1.00 1.74 N ATOM 656 CA ALA A 46 106.317 1.425 30.729 1.00 1.71 C ATOM 657 C ALA A 46 104.899 1.892 31.036 1.00 1.64 C ATOM 658 O ALA A 46 104.576 2.241 32.154 1.00 1.71 O ATOM 659 CB ALA A 46 106.964 2.393 29.736 1.00 1.66 C ATOM 0 H ALA A 46 106.627 -0.019 29.188 1.00 1.74 H new ATOM 0 HA ALA A 46 106.907 1.401 31.645 1.00 1.71 H new ATOM 0 HB1 ALA A 46 107.001 3.391 30.173 1.00 1.66 H new ATOM 0 HB2 ALA A 46 107.976 2.058 29.508 1.00 1.66 H new ATOM 0 HB3 ALA A 46 106.376 2.420 28.819 1.00 1.66 H new ATOM 665 N GLY A 47 104.048 1.900 30.049 1.00 1.60 N ATOM 666 CA GLY A 47 102.646 2.344 30.279 1.00 1.58 C ATOM 667 C GLY A 47 102.046 2.838 28.963 1.00 1.42 C ATOM 668 O GLY A 47 102.703 2.861 27.941 1.00 1.37 O ATOM 0 H GLY A 47 104.263 1.618 29.093 1.00 1.60 H new ATOM 0 HA2 GLY A 47 102.053 1.520 30.675 1.00 1.58 H new ATOM 0 HA3 GLY A 47 102.623 3.140 31.023 1.00 1.58 H new ATOM 672 N ALA A 48 100.803 3.235 28.976 1.00 1.40 N ATOM 673 CA ALA A 48 100.168 3.727 27.721 1.00 1.27 C ATOM 674 C ALA A 48 101.033 4.838 27.123 1.00 1.21 C ATOM 675 O ALA A 48 101.637 5.616 27.834 1.00 1.37 O ATOM 676 CB ALA A 48 98.774 4.275 28.032 1.00 1.32 C ATOM 0 H ALA A 48 100.201 3.240 29.799 1.00 1.40 H new ATOM 0 HA ALA A 48 100.081 2.906 27.009 1.00 1.27 H new ATOM 0 HB1 ALA A 48 98.311 4.634 27.113 1.00 1.32 H new ATOM 0 HB2 ALA A 48 98.160 3.484 28.462 1.00 1.32 H new ATOM 0 HB3 ALA A 48 98.857 5.098 28.742 1.00 1.32 H new ATOM 682 N GLY A 49 101.101 4.919 25.822 1.00 1.04 N ATOM 683 CA GLY A 49 101.933 5.981 25.189 1.00 1.02 C ATOM 684 C GLY A 49 101.554 6.121 23.714 1.00 0.87 C ATOM 685 O GLY A 49 100.520 5.648 23.282 1.00 0.71 O ATOM 0 H GLY A 49 100.618 4.298 25.172 1.00 1.04 H new ATOM 0 HA2 GLY A 49 101.783 6.930 25.705 1.00 1.02 H new ATOM 0 HA3 GLY A 49 102.990 5.732 25.281 1.00 1.02 H new ATOM 689 N GLY A 50 102.385 6.771 22.936 1.00 0.98 N ATOM 690 CA GLY A 50 102.082 6.953 21.482 1.00 0.86 C ATOM 691 C GLY A 50 103.353 6.730 20.663 1.00 0.86 C ATOM 692 O GLY A 50 104.315 7.463 20.777 1.00 1.06 O ATOM 0 H GLY A 50 103.264 7.185 23.247 1.00 0.98 H new ATOM 0 HA2 GLY A 50 101.308 6.251 21.170 1.00 0.86 H new ATOM 0 HA3 GLY A 50 101.693 7.956 21.304 1.00 0.86 H new ATOM 696 N LEU A 51 103.360 5.726 19.825 1.00 0.74 N ATOM 697 CA LEU A 51 104.562 5.456 18.982 1.00 0.75 C ATOM 698 C LEU A 51 104.400 6.194 17.665 1.00 0.68 C ATOM 699 O LEU A 51 103.593 5.823 16.855 1.00 0.60 O ATOM 700 CB LEU A 51 104.669 3.949 18.718 1.00 0.74 C ATOM 701 CG LEU A 51 105.863 3.652 17.799 1.00 0.81 C ATOM 702 CD1 LEU A 51 107.169 4.124 18.459 1.00 1.10 C ATOM 703 CD2 LEU A 51 105.927 2.142 17.539 1.00 0.77 C ATOM 0 H LEU A 51 102.583 5.080 19.688 1.00 0.74 H new ATOM 0 HA LEU A 51 105.465 5.794 19.491 1.00 0.75 H new ATOM 0 HB2 LEU A 51 104.786 3.415 19.661 1.00 0.74 H new ATOM 0 HB3 LEU A 51 103.749 3.587 18.259 1.00 0.74 H new ATOM 0 HG LEU A 51 105.738 4.184 16.856 1.00 0.81 H new ATOM 0 HD11 LEU A 51 108.009 3.908 17.799 1.00 1.10 H new ATOM 0 HD12 LEU A 51 107.117 5.197 18.642 1.00 1.10 H new ATOM 0 HD13 LEU A 51 107.308 3.601 19.405 1.00 1.10 H new ATOM 0 HD21 LEU A 51 106.772 1.921 16.887 1.00 0.77 H new ATOM 0 HD22 LEU A 51 106.051 1.615 18.485 1.00 0.77 H new ATOM 0 HD23 LEU A 51 105.004 1.816 17.060 1.00 0.77 H new ATOM 715 N SER A 52 105.171 7.226 17.449 1.00 0.75 N ATOM 716 CA SER A 52 105.075 7.999 16.169 1.00 0.71 C ATOM 717 C SER A 52 106.092 7.429 15.177 1.00 0.70 C ATOM 718 O SER A 52 107.180 7.059 15.571 1.00 0.78 O ATOM 719 CB SER A 52 105.392 9.470 16.442 1.00 0.82 C ATOM 720 OG SER A 52 104.293 10.068 17.118 1.00 1.56 O ATOM 0 H SER A 52 105.869 7.572 18.107 1.00 0.75 H new ATOM 0 HA SER A 52 104.070 7.920 15.756 1.00 0.71 H new ATOM 0 HB2 SER A 52 106.295 9.554 17.047 1.00 0.82 H new ATOM 0 HB3 SER A 52 105.586 9.992 15.505 1.00 0.82 H new ATOM 0 HG SER A 52 104.493 11.011 17.297 1.00 1.56 H new ATOM 726 N ILE A 53 105.758 7.336 13.899 1.00 0.61 N ATOM 727 CA ILE A 53 106.726 6.768 12.907 1.00 0.61 C ATOM 728 C ILE A 53 106.776 7.648 11.656 1.00 0.57 C ATOM 729 O ILE A 53 105.803 7.787 10.942 1.00 0.65 O ATOM 730 CB ILE A 53 106.276 5.361 12.509 1.00 0.56 C ATOM 731 CG1 ILE A 53 106.276 4.452 13.743 1.00 0.64 C ATOM 732 CG2 ILE A 53 107.239 4.798 11.462 1.00 0.63 C ATOM 733 CD1 ILE A 53 105.594 3.125 13.403 1.00 0.64 C ATOM 0 H ILE A 53 104.862 7.629 13.510 1.00 0.61 H new ATOM 0 HA ILE A 53 107.717 6.730 13.360 1.00 0.61 H new ATOM 0 HB ILE A 53 105.269 5.406 12.094 1.00 0.56 H new ATOM 0 HG12 ILE A 53 107.299 4.272 14.075 1.00 0.64 H new ATOM 0 HG13 ILE A 53 105.755 4.940 14.567 1.00 0.64 H new ATOM 0 HG21 ILE A 53 106.921 3.795 11.177 1.00 0.63 H new ATOM 0 HG22 ILE A 53 107.238 5.443 10.583 1.00 0.63 H new ATOM 0 HG23 ILE A 53 108.245 4.754 11.879 1.00 0.63 H new ATOM 0 HD11 ILE A 53 105.595 2.480 14.282 1.00 0.64 H new ATOM 0 HD12 ILE A 53 104.566 3.313 13.092 1.00 0.64 H new ATOM 0 HD13 ILE A 53 106.134 2.635 12.593 1.00 0.64 H new ATOM 745 N ALA A 54 107.918 8.227 11.378 1.00 0.60 N ATOM 746 CA ALA A 54 108.073 9.087 10.165 1.00 0.57 C ATOM 747 C ALA A 54 108.921 8.326 9.148 1.00 0.54 C ATOM 748 O ALA A 54 110.103 8.117 9.347 1.00 0.63 O ATOM 749 CB ALA A 54 108.783 10.388 10.548 1.00 0.69 C ATOM 0 H ALA A 54 108.760 8.139 11.948 1.00 0.60 H new ATOM 0 HA ALA A 54 107.097 9.326 9.743 1.00 0.57 H new ATOM 0 HB1 ALA A 54 108.896 11.015 9.663 1.00 0.69 H new ATOM 0 HB2 ALA A 54 108.193 10.918 11.296 1.00 0.69 H new ATOM 0 HB3 ALA A 54 109.767 10.159 10.958 1.00 0.69 H new ATOM 755 N VAL A 55 108.323 7.887 8.072 1.00 0.45 N ATOM 756 CA VAL A 55 109.078 7.112 7.042 1.00 0.47 C ATOM 757 C VAL A 55 109.430 8.014 5.852 1.00 0.41 C ATOM 758 O VAL A 55 108.654 8.854 5.438 1.00 0.39 O ATOM 759 CB VAL A 55 108.200 5.943 6.552 1.00 0.47 C ATOM 760 CG1 VAL A 55 108.409 4.715 7.446 1.00 0.91 C ATOM 761 CG2 VAL A 55 106.725 6.355 6.601 1.00 0.79 C ATOM 0 H VAL A 55 107.336 8.033 7.860 1.00 0.45 H new ATOM 0 HA VAL A 55 110.000 6.732 7.482 1.00 0.47 H new ATOM 0 HB VAL A 55 108.482 5.695 5.529 1.00 0.47 H new ATOM 0 HG11 VAL A 55 107.784 3.896 7.091 1.00 0.91 H new ATOM 0 HG12 VAL A 55 109.456 4.414 7.412 1.00 0.91 H new ATOM 0 HG13 VAL A 55 108.136 4.961 8.472 1.00 0.91 H new ATOM 0 HG21 VAL A 55 106.105 5.528 6.255 1.00 0.79 H new ATOM 0 HG22 VAL A 55 106.452 6.609 7.625 1.00 0.79 H new ATOM 0 HG23 VAL A 55 106.568 7.221 5.958 1.00 0.79 H new ATOM 771 N GLU A 56 110.593 7.817 5.283 1.00 0.44 N ATOM 772 CA GLU A 56 111.010 8.619 4.098 1.00 0.40 C ATOM 773 C GLU A 56 111.697 7.653 3.131 1.00 0.43 C ATOM 774 O GLU A 56 112.376 6.735 3.544 1.00 0.52 O ATOM 775 CB GLU A 56 111.965 9.743 4.542 1.00 0.47 C ATOM 776 CG GLU A 56 112.413 10.588 3.329 1.00 0.49 C ATOM 777 CD GLU A 56 111.384 11.687 3.032 1.00 1.08 C ATOM 778 OE1 GLU A 56 110.410 11.782 3.760 1.00 1.71 O ATOM 779 OE2 GLU A 56 111.591 12.419 2.078 1.00 1.80 O ATOM 0 H GLU A 56 111.277 7.127 5.594 1.00 0.44 H new ATOM 0 HA GLU A 56 110.158 9.094 3.611 1.00 0.40 H new ATOM 0 HB2 GLU A 56 111.469 10.381 5.273 1.00 0.47 H new ATOM 0 HB3 GLU A 56 112.837 9.313 5.034 1.00 0.47 H new ATOM 0 HG2 GLU A 56 113.386 11.037 3.530 1.00 0.49 H new ATOM 0 HG3 GLU A 56 112.532 9.947 2.455 1.00 0.49 H new ATOM 786 N GLY A 57 111.511 7.826 1.851 1.00 0.41 N ATOM 787 CA GLY A 57 112.146 6.879 0.891 1.00 0.49 C ATOM 788 C GLY A 57 111.624 7.152 -0.524 1.00 0.45 C ATOM 789 O GLY A 57 110.905 8.105 -0.729 1.00 0.44 O ATOM 0 H GLY A 57 110.955 8.571 1.432 1.00 0.41 H new ATOM 0 HA2 GLY A 57 113.230 6.991 0.917 1.00 0.49 H new ATOM 0 HA3 GLY A 57 111.925 5.851 1.179 1.00 0.49 H new ATOM 793 N PRO A 58 112.002 6.314 -1.465 1.00 0.50 N ATOM 794 CA PRO A 58 111.562 6.469 -2.866 1.00 0.52 C ATOM 795 C PRO A 58 110.043 6.276 -2.972 1.00 0.54 C ATOM 796 O PRO A 58 109.392 6.876 -3.804 1.00 0.56 O ATOM 797 CB PRO A 58 112.318 5.365 -3.645 1.00 0.63 C ATOM 798 CG PRO A 58 113.191 4.583 -2.621 1.00 0.66 C ATOM 799 CD PRO A 58 112.900 5.167 -1.219 1.00 0.60 C ATOM 0 HA PRO A 58 111.776 7.462 -3.262 1.00 0.52 H new ATOM 0 HB2 PRO A 58 111.615 4.695 -4.140 1.00 0.63 H new ATOM 0 HB3 PRO A 58 112.942 5.804 -4.424 1.00 0.63 H new ATOM 0 HG2 PRO A 58 112.955 3.519 -2.650 1.00 0.66 H new ATOM 0 HG3 PRO A 58 114.249 4.681 -2.865 1.00 0.66 H new ATOM 0 HD2 PRO A 58 112.428 4.427 -0.573 1.00 0.60 H new ATOM 0 HD3 PRO A 58 113.818 5.483 -0.724 1.00 0.60 H new ATOM 807 N SER A 59 109.479 5.432 -2.146 1.00 0.56 N ATOM 808 CA SER A 59 108.001 5.185 -2.206 1.00 0.60 C ATOM 809 C SER A 59 107.426 5.120 -0.792 1.00 0.55 C ATOM 810 O SER A 59 108.130 4.883 0.168 1.00 0.55 O ATOM 811 CB SER A 59 107.742 3.857 -2.914 1.00 0.71 C ATOM 812 OG SER A 59 108.259 3.924 -4.237 1.00 1.55 O ATOM 0 H SER A 59 109.976 4.901 -1.431 1.00 0.56 H new ATOM 0 HA SER A 59 107.523 5.998 -2.752 1.00 0.60 H new ATOM 0 HB2 SER A 59 108.215 3.041 -2.367 1.00 0.71 H new ATOM 0 HB3 SER A 59 106.673 3.647 -2.939 1.00 0.71 H new ATOM 0 HG SER A 59 107.626 4.403 -4.812 1.00 1.55 H new ATOM 818 N LYS A 60 106.146 5.334 -0.659 1.00 0.59 N ATOM 819 CA LYS A 60 105.518 5.290 0.689 1.00 0.57 C ATOM 820 C LYS A 60 105.367 3.835 1.134 1.00 0.63 C ATOM 821 O LYS A 60 104.390 3.180 0.830 1.00 0.73 O ATOM 822 CB LYS A 60 104.140 5.961 0.630 1.00 0.63 C ATOM 823 CG LYS A 60 104.219 7.211 -0.250 1.00 1.23 C ATOM 824 CD LYS A 60 102.911 7.997 -0.141 1.00 1.29 C ATOM 825 CE LYS A 60 102.883 9.093 -1.208 1.00 1.87 C ATOM 826 NZ LYS A 60 102.663 8.478 -2.547 1.00 2.53 N ATOM 0 H LYS A 60 105.508 5.538 -1.428 1.00 0.59 H new ATOM 0 HA LYS A 60 106.147 5.820 1.404 1.00 0.57 H new ATOM 0 HB2 LYS A 60 103.402 5.266 0.228 1.00 0.63 H new ATOM 0 HB3 LYS A 60 103.811 6.230 1.634 1.00 0.63 H new ATOM 0 HG2 LYS A 60 105.057 7.835 0.061 1.00 1.23 H new ATOM 0 HG3 LYS A 60 104.400 6.928 -1.287 1.00 1.23 H new ATOM 0 HD2 LYS A 60 102.060 7.328 -0.270 1.00 1.29 H new ATOM 0 HD3 LYS A 60 102.822 8.439 0.851 1.00 1.29 H new ATOM 0 HE2 LYS A 60 102.089 9.808 -0.990 1.00 1.87 H new ATOM 0 HE3 LYS A 60 103.822 9.647 -1.200 1.00 1.87 H new ATOM 0 HZ1 LYS A 60 102.311 9.200 -3.207 1.00 2.53 H new ATOM 0 HZ2 LYS A 60 103.560 8.092 -2.903 1.00 2.53 H new ATOM 0 HZ3 LYS A 60 101.964 7.712 -2.467 1.00 2.53 H new ATOM 840 N ALA A 61 106.328 3.324 1.852 1.00 0.66 N ATOM 841 CA ALA A 61 106.239 1.912 2.314 1.00 0.76 C ATOM 842 C ALA A 61 105.048 1.761 3.262 1.00 0.77 C ATOM 843 O ALA A 61 104.823 2.588 4.123 1.00 0.78 O ATOM 844 CB ALA A 61 107.527 1.534 3.045 1.00 0.82 C ATOM 0 H ALA A 61 107.170 3.823 2.138 1.00 0.66 H new ATOM 0 HA ALA A 61 106.104 1.255 1.455 1.00 0.76 H new ATOM 0 HB1 ALA A 61 107.463 0.500 3.384 1.00 0.82 H new ATOM 0 HB2 ALA A 61 108.375 1.642 2.368 1.00 0.82 H new ATOM 0 HB3 ALA A 61 107.663 2.190 3.905 1.00 0.82 H new ATOM 850 N GLU A 62 104.279 0.714 3.113 1.00 0.88 N ATOM 851 CA GLU A 62 103.105 0.528 4.014 1.00 0.93 C ATOM 852 C GLU A 62 103.573 -0.036 5.352 1.00 0.96 C ATOM 853 O GLU A 62 104.718 -0.393 5.518 1.00 1.43 O ATOM 854 CB GLU A 62 102.090 -0.433 3.384 1.00 1.11 C ATOM 855 CG GLU A 62 101.735 0.038 1.970 1.00 1.50 C ATOM 856 CD GLU A 62 100.853 1.285 2.055 1.00 1.72 C ATOM 857 OE1 GLU A 62 100.470 1.642 3.157 1.00 2.14 O ATOM 858 OE2 GLU A 62 100.575 1.862 1.017 1.00 2.30 O ATOM 0 H GLU A 62 104.412 -0.015 2.412 1.00 0.88 H new ATOM 0 HA GLU A 62 102.626 1.495 4.167 1.00 0.93 H new ATOM 0 HB2 GLU A 62 102.504 -1.441 3.348 1.00 1.11 H new ATOM 0 HB3 GLU A 62 101.191 -0.480 3.998 1.00 1.11 H new ATOM 0 HG2 GLU A 62 102.644 0.259 1.410 1.00 1.50 H new ATOM 0 HG3 GLU A 62 101.214 -0.753 1.432 1.00 1.50 H new ATOM 865 N ILE A 63 102.685 -0.117 6.307 1.00 0.97 N ATOM 866 CA ILE A 63 103.044 -0.653 7.653 1.00 0.94 C ATOM 867 C ILE A 63 101.883 -1.523 8.151 1.00 1.01 C ATOM 868 O ILE A 63 100.743 -1.296 7.796 1.00 1.06 O ATOM 869 CB ILE A 63 103.273 0.513 8.629 1.00 0.89 C ATOM 870 CG1 ILE A 63 104.535 1.315 8.218 1.00 1.06 C ATOM 871 CG2 ILE A 63 103.458 -0.049 10.042 1.00 1.28 C ATOM 872 CD1 ILE A 63 104.178 2.420 7.208 1.00 1.40 C ATOM 0 H ILE A 63 101.711 0.170 6.210 1.00 0.97 H new ATOM 0 HA ILE A 63 103.957 -1.245 7.591 1.00 0.94 H new ATOM 0 HB ILE A 63 102.411 1.180 8.604 1.00 0.89 H new ATOM 0 HG12 ILE A 63 104.993 1.759 9.102 1.00 1.06 H new ATOM 0 HG13 ILE A 63 105.272 0.642 7.781 1.00 1.06 H new ATOM 0 HG21 ILE A 63 103.621 0.771 10.741 1.00 1.28 H new ATOM 0 HG22 ILE A 63 102.565 -0.602 10.333 1.00 1.28 H new ATOM 0 HG23 ILE A 63 104.320 -0.716 10.058 1.00 1.28 H new ATOM 0 HD11 ILE A 63 105.080 2.969 6.935 1.00 1.40 H new ATOM 0 HD12 ILE A 63 103.743 1.970 6.316 1.00 1.40 H new ATOM 0 HD13 ILE A 63 103.459 3.105 7.657 1.00 1.40 H new ATOM 884 N ALA A 64 102.144 -2.521 8.965 1.00 1.04 N ATOM 885 CA ALA A 64 101.023 -3.381 9.453 1.00 1.13 C ATOM 886 C ALA A 64 101.374 -3.942 10.834 1.00 1.14 C ATOM 887 O ALA A 64 102.352 -4.641 10.998 1.00 1.36 O ATOM 888 CB ALA A 64 100.793 -4.525 8.453 1.00 1.26 C ATOM 0 H ALA A 64 103.072 -2.773 9.307 1.00 1.04 H new ATOM 0 HA ALA A 64 100.110 -2.792 9.536 1.00 1.13 H new ATOM 0 HB1 ALA A 64 99.976 -5.156 8.804 1.00 1.26 H new ATOM 0 HB2 ALA A 64 100.538 -4.110 7.478 1.00 1.26 H new ATOM 0 HB3 ALA A 64 101.701 -5.122 8.367 1.00 1.26 H new ATOM 894 N PHE A 65 100.580 -3.643 11.827 1.00 1.16 N ATOM 895 CA PHE A 65 100.865 -4.157 13.198 1.00 1.16 C ATOM 896 C PHE A 65 100.256 -5.551 13.365 1.00 1.28 C ATOM 897 O PHE A 65 99.155 -5.815 12.924 1.00 1.35 O ATOM 898 CB PHE A 65 100.247 -3.210 14.228 1.00 1.11 C ATOM 899 CG PHE A 65 98.750 -3.169 14.035 1.00 1.20 C ATOM 900 CD1 PHE A 65 97.933 -4.093 14.698 1.00 1.30 C ATOM 901 CD2 PHE A 65 98.179 -2.209 13.191 1.00 1.23 C ATOM 902 CE1 PHE A 65 96.545 -4.056 14.518 1.00 1.43 C ATOM 903 CE2 PHE A 65 96.791 -2.172 13.011 1.00 1.37 C ATOM 904 CZ PHE A 65 95.974 -3.096 13.674 1.00 1.47 C ATOM 0 H PHE A 65 99.744 -3.064 11.748 1.00 1.16 H new ATOM 0 HA PHE A 65 101.943 -4.214 13.346 1.00 1.16 H new ATOM 0 HB2 PHE A 65 100.486 -3.546 15.237 1.00 1.11 H new ATOM 0 HB3 PHE A 65 100.667 -2.210 14.117 1.00 1.11 H new ATOM 0 HD1 PHE A 65 98.374 -4.834 15.348 1.00 1.30 H new ATOM 0 HD2 PHE A 65 98.809 -1.497 12.679 1.00 1.23 H new ATOM 0 HE1 PHE A 65 95.915 -4.768 15.030 1.00 1.43 H new ATOM 0 HE2 PHE A 65 96.350 -1.431 12.361 1.00 1.37 H new ATOM 0 HZ PHE A 65 94.903 -3.068 13.534 1.00 1.47 H new ATOM 914 N GLU A 66 100.967 -6.445 14.003 1.00 1.35 N ATOM 915 CA GLU A 66 100.441 -7.830 14.210 1.00 1.50 C ATOM 916 C GLU A 66 100.835 -8.313 15.608 1.00 1.54 C ATOM 917 O GLU A 66 101.998 -8.355 15.956 1.00 1.61 O ATOM 918 CB GLU A 66 101.042 -8.766 13.159 1.00 1.62 C ATOM 919 CG GLU A 66 100.298 -10.102 13.180 1.00 1.80 C ATOM 920 CD GLU A 66 100.790 -10.980 12.028 1.00 1.94 C ATOM 921 OE1 GLU A 66 101.969 -10.917 11.722 1.00 2.01 O ATOM 922 OE2 GLU A 66 99.979 -11.701 11.471 1.00 2.51 O ATOM 0 H GLU A 66 101.895 -6.275 14.392 1.00 1.35 H new ATOM 0 HA GLU A 66 99.355 -7.829 14.114 1.00 1.50 H new ATOM 0 HB2 GLU A 66 100.970 -8.313 12.170 1.00 1.62 H new ATOM 0 HB3 GLU A 66 102.101 -8.924 13.361 1.00 1.62 H new ATOM 0 HG2 GLU A 66 100.463 -10.607 14.132 1.00 1.80 H new ATOM 0 HG3 GLU A 66 99.225 -9.934 13.090 1.00 1.80 H new ATOM 1006 N SER A 72 104.803 -10.211 21.761 1.00 1.78 N ATOM 1007 CA SER A 72 105.732 -9.431 20.886 1.00 1.72 C ATOM 1008 C SER A 72 104.934 -8.804 19.742 1.00 1.60 C ATOM 1009 O SER A 72 104.182 -9.472 19.060 1.00 1.64 O ATOM 1010 CB SER A 72 106.794 -10.367 20.310 1.00 1.82 C ATOM 1011 OG SER A 72 107.833 -9.594 19.725 1.00 2.20 O ATOM 0 HA SER A 72 106.216 -8.648 21.470 1.00 1.72 H new ATOM 0 HB2 SER A 72 107.198 -11.005 21.096 1.00 1.82 H new ATOM 0 HB3 SER A 72 106.349 -11.024 19.563 1.00 1.82 H new ATOM 0 HG SER A 72 108.073 -9.974 18.854 1.00 2.20 H new ATOM 1017 N CYS A 73 105.089 -7.527 19.526 1.00 1.50 N ATOM 1018 CA CYS A 73 104.333 -6.865 18.426 1.00 1.40 C ATOM 1019 C CYS A 73 105.003 -7.179 17.087 1.00 1.37 C ATOM 1020 O CYS A 73 106.190 -7.431 17.023 1.00 1.39 O ATOM 1021 CB CYS A 73 104.322 -5.351 18.651 1.00 1.31 C ATOM 1022 SG CYS A 73 103.046 -4.595 17.613 1.00 2.05 S ATOM 0 H CYS A 73 105.704 -6.915 20.062 1.00 1.50 H new ATOM 0 HA CYS A 73 103.308 -7.236 18.415 1.00 1.40 H new ATOM 0 HB2 CYS A 73 104.130 -5.130 19.701 1.00 1.31 H new ATOM 0 HB3 CYS A 73 105.298 -4.930 18.410 1.00 1.31 H new ATOM 0 HG CYS A 73 103.035 -3.309 17.806 1.00 2.05 H new ATOM 1028 N GLY A 74 104.244 -7.166 16.018 1.00 1.39 N ATOM 1029 CA GLY A 74 104.815 -7.461 14.665 1.00 1.38 C ATOM 1030 C GLY A 74 104.464 -6.324 13.709 1.00 1.28 C ATOM 1031 O GLY A 74 103.320 -6.124 13.353 1.00 1.26 O ATOM 0 H GLY A 74 103.245 -6.962 16.025 1.00 1.39 H new ATOM 0 HA2 GLY A 74 105.897 -7.574 14.731 1.00 1.38 H new ATOM 0 HA3 GLY A 74 104.418 -8.404 14.288 1.00 1.38 H new ATOM 1035 N VAL A 75 105.448 -5.579 13.292 1.00 1.25 N ATOM 1036 CA VAL A 75 105.197 -4.440 12.350 1.00 1.16 C ATOM 1037 C VAL A 75 105.560 -4.867 10.930 1.00 1.20 C ATOM 1038 O VAL A 75 106.713 -4.868 10.544 1.00 1.25 O ATOM 1039 CB VAL A 75 106.059 -3.246 12.764 1.00 1.11 C ATOM 1040 CG1 VAL A 75 105.694 -2.031 11.910 1.00 1.31 C ATOM 1041 CG2 VAL A 75 105.809 -2.925 14.244 1.00 1.57 C ATOM 0 H VAL A 75 106.423 -5.706 13.562 1.00 1.25 H new ATOM 0 HA VAL A 75 104.144 -4.159 12.384 1.00 1.16 H new ATOM 0 HB VAL A 75 107.111 -3.489 12.617 1.00 1.11 H new ATOM 0 HG11 VAL A 75 106.309 -1.181 12.206 1.00 1.31 H new ATOM 0 HG12 VAL A 75 105.871 -2.259 10.859 1.00 1.31 H new ATOM 0 HG13 VAL A 75 104.642 -1.786 12.056 1.00 1.31 H new ATOM 0 HG21 VAL A 75 106.423 -2.074 14.540 1.00 1.57 H new ATOM 0 HG22 VAL A 75 104.757 -2.682 14.391 1.00 1.57 H new ATOM 0 HG23 VAL A 75 106.070 -3.790 14.853 1.00 1.57 H new ATOM 1051 N SER A 76 104.578 -5.223 10.145 1.00 1.22 N ATOM 1052 CA SER A 76 104.854 -5.639 8.742 1.00 1.29 C ATOM 1053 C SER A 76 104.923 -4.383 7.874 1.00 1.19 C ATOM 1054 O SER A 76 104.523 -3.322 8.293 1.00 1.20 O ATOM 1055 CB SER A 76 103.734 -6.573 8.253 1.00 1.40 C ATOM 1056 OG SER A 76 103.312 -6.179 6.952 1.00 1.85 O ATOM 0 H SER A 76 103.595 -5.243 10.417 1.00 1.22 H new ATOM 0 HA SER A 76 105.800 -6.177 8.681 1.00 1.29 H new ATOM 0 HB2 SER A 76 104.089 -7.603 8.234 1.00 1.40 H new ATOM 0 HB3 SER A 76 102.892 -6.539 8.944 1.00 1.40 H new ATOM 0 HG SER A 76 102.600 -6.777 6.644 1.00 1.85 H new ATOM 1062 N TYR A 77 105.439 -4.489 6.679 1.00 1.21 N ATOM 1063 CA TYR A 77 105.541 -3.284 5.800 1.00 1.12 C ATOM 1064 C TYR A 77 105.827 -3.730 4.364 1.00 1.20 C ATOM 1065 O TYR A 77 106.126 -4.882 4.119 1.00 1.43 O ATOM 1066 CB TYR A 77 106.697 -2.402 6.292 1.00 1.07 C ATOM 1067 CG TYR A 77 108.006 -3.139 6.113 1.00 1.14 C ATOM 1068 CD1 TYR A 77 108.306 -4.235 6.926 1.00 1.33 C ATOM 1069 CD2 TYR A 77 108.917 -2.728 5.129 1.00 1.18 C ATOM 1070 CE1 TYR A 77 109.514 -4.922 6.760 1.00 1.47 C ATOM 1071 CE2 TYR A 77 110.124 -3.416 4.962 1.00 1.28 C ATOM 1072 CZ TYR A 77 110.423 -4.513 5.777 1.00 1.39 C ATOM 1073 OH TYR A 77 111.613 -5.192 5.613 1.00 1.54 O ATOM 0 H TYR A 77 105.794 -5.355 6.273 1.00 1.21 H new ATOM 0 HA TYR A 77 104.607 -2.724 5.832 1.00 1.12 H new ATOM 0 HB2 TYR A 77 106.716 -1.465 5.735 1.00 1.07 H new ATOM 0 HB3 TYR A 77 106.552 -2.146 7.342 1.00 1.07 H new ATOM 0 HD1 TYR A 77 107.605 -4.552 7.684 1.00 1.33 H new ATOM 0 HD2 TYR A 77 108.687 -1.881 4.500 1.00 1.18 H new ATOM 0 HE1 TYR A 77 109.745 -5.768 7.390 1.00 1.47 H new ATOM 0 HE2 TYR A 77 110.825 -3.100 4.204 1.00 1.28 H new ATOM 0 HH TYR A 77 112.128 -4.780 4.888 1.00 1.54 H new ATOM 1083 N VAL A 78 105.751 -2.830 3.409 1.00 1.13 N ATOM 1084 CA VAL A 78 106.040 -3.230 1.989 1.00 1.21 C ATOM 1085 C VAL A 78 106.795 -2.107 1.265 1.00 1.14 C ATOM 1086 O VAL A 78 106.290 -1.022 1.075 1.00 1.11 O ATOM 1087 CB VAL A 78 104.723 -3.548 1.258 1.00 1.29 C ATOM 1088 CG1 VAL A 78 103.983 -2.254 0.887 1.00 1.81 C ATOM 1089 CG2 VAL A 78 105.028 -4.346 -0.016 1.00 1.90 C ATOM 0 H VAL A 78 105.505 -1.850 3.546 1.00 1.13 H new ATOM 0 HA VAL A 78 106.667 -4.122 1.991 1.00 1.21 H new ATOM 0 HB VAL A 78 104.087 -4.135 1.921 1.00 1.29 H new ATOM 0 HG11 VAL A 78 103.055 -2.501 0.371 1.00 1.81 H new ATOM 0 HG12 VAL A 78 103.756 -1.692 1.793 1.00 1.81 H new ATOM 0 HG13 VAL A 78 104.612 -1.650 0.233 1.00 1.81 H new ATOM 0 HG21 VAL A 78 104.097 -4.572 -0.535 1.00 1.90 H new ATOM 0 HG22 VAL A 78 105.673 -3.758 -0.668 1.00 1.90 H new ATOM 0 HG23 VAL A 78 105.531 -5.276 0.249 1.00 1.90 H new ATOM 1099 N VAL A 79 108.008 -2.372 0.856 1.00 1.17 N ATOM 1100 CA VAL A 79 108.810 -1.337 0.137 1.00 1.11 C ATOM 1101 C VAL A 79 108.547 -1.462 -1.362 1.00 1.15 C ATOM 1102 O VAL A 79 108.199 -2.517 -1.847 1.00 1.24 O ATOM 1103 CB VAL A 79 110.293 -1.568 0.424 1.00 1.14 C ATOM 1104 CG1 VAL A 79 110.614 -1.123 1.867 1.00 1.13 C ATOM 1105 CG2 VAL A 79 110.607 -3.061 0.255 1.00 1.27 C ATOM 0 H VAL A 79 108.481 -3.266 0.990 1.00 1.17 H new ATOM 0 HA VAL A 79 108.528 -0.339 0.474 1.00 1.11 H new ATOM 0 HB VAL A 79 110.901 -0.987 -0.270 1.00 1.14 H new ATOM 0 HG11 VAL A 79 111.672 -1.288 2.072 1.00 1.13 H new ATOM 0 HG12 VAL A 79 110.383 -0.064 1.981 1.00 1.13 H new ATOM 0 HG13 VAL A 79 110.014 -1.703 2.568 1.00 1.13 H new ATOM 0 HG21 VAL A 79 111.664 -3.236 0.458 1.00 1.27 H new ATOM 0 HG22 VAL A 79 110.003 -3.641 0.952 1.00 1.27 H new ATOM 0 HG23 VAL A 79 110.378 -3.368 -0.766 1.00 1.27 H new ATOM 1115 N GLN A 80 108.692 -0.395 -2.104 1.00 1.10 N ATOM 1116 CA GLN A 80 108.422 -0.463 -3.570 1.00 1.15 C ATOM 1117 C GLN A 80 109.713 -0.726 -4.350 1.00 1.17 C ATOM 1118 O GLN A 80 109.747 -1.568 -5.225 1.00 1.25 O ATOM 1119 CB GLN A 80 107.813 0.867 -4.031 1.00 1.11 C ATOM 1120 CG GLN A 80 107.077 0.671 -5.360 1.00 1.18 C ATOM 1121 CD GLN A 80 106.786 2.034 -5.992 1.00 1.80 C ATOM 1122 OE1 GLN A 80 107.608 2.573 -6.705 1.00 2.47 O ATOM 1123 NE2 GLN A 80 105.643 2.617 -5.757 1.00 2.48 N ATOM 0 H GLN A 80 108.985 0.519 -1.758 1.00 1.10 H new ATOM 0 HA GLN A 80 107.729 -1.282 -3.761 1.00 1.15 H new ATOM 0 HB2 GLN A 80 107.123 1.242 -3.275 1.00 1.11 H new ATOM 0 HB3 GLN A 80 108.597 1.615 -4.147 1.00 1.11 H new ATOM 0 HG2 GLN A 80 107.682 0.067 -6.036 1.00 1.18 H new ATOM 0 HG3 GLN A 80 106.146 0.129 -5.195 1.00 1.18 H new ATOM 0 HE21 GLN A 80 104.953 2.164 -5.158 1.00 2.48 H new ATOM 0 HE22 GLN A 80 105.439 3.526 -6.172 1.00 2.48 H new ATOM 1132 N GLU A 81 110.775 -0.004 -4.075 1.00 1.11 N ATOM 1133 CA GLU A 81 112.038 -0.229 -4.858 1.00 1.13 C ATOM 1134 C GLU A 81 113.286 0.177 -4.037 1.00 1.07 C ATOM 1135 O GLU A 81 113.213 1.084 -3.233 1.00 0.98 O ATOM 1136 CB GLU A 81 112.006 0.639 -6.130 1.00 1.11 C ATOM 1137 CG GLU A 81 110.906 0.179 -7.098 1.00 1.43 C ATOM 1138 CD GLU A 81 111.091 -1.299 -7.457 1.00 1.37 C ATOM 1139 OE1 GLU A 81 112.227 -1.705 -7.641 1.00 1.92 O ATOM 1140 OE2 GLU A 81 110.094 -1.997 -7.541 1.00 1.65 O ATOM 0 H GLU A 81 110.825 0.719 -3.357 1.00 1.11 H new ATOM 0 HA GLU A 81 112.098 -1.289 -5.103 1.00 1.13 H new ATOM 0 HB2 GLU A 81 111.839 1.681 -5.857 1.00 1.11 H new ATOM 0 HB3 GLU A 81 112.974 0.591 -6.629 1.00 1.11 H new ATOM 0 HG2 GLU A 81 109.927 0.329 -6.643 1.00 1.43 H new ATOM 0 HG3 GLU A 81 110.933 0.785 -8.003 1.00 1.43 H new ATOM 1147 N PRO A 82 114.413 -0.486 -4.288 1.00 1.14 N ATOM 1148 CA PRO A 82 115.689 -0.184 -3.612 1.00 1.14 C ATOM 1149 C PRO A 82 115.898 1.298 -3.354 1.00 1.00 C ATOM 1150 O PRO A 82 115.322 2.159 -3.989 1.00 0.91 O ATOM 1151 CB PRO A 82 116.745 -0.745 -4.566 1.00 1.23 C ATOM 1152 CG PRO A 82 116.045 -1.905 -5.294 1.00 1.30 C ATOM 1153 CD PRO A 82 114.533 -1.610 -5.246 1.00 1.26 C ATOM 0 HA PRO A 82 115.729 -0.625 -2.616 1.00 1.14 H new ATOM 0 HB2 PRO A 82 117.085 0.015 -5.269 1.00 1.23 H new ATOM 0 HB3 PRO A 82 117.624 -1.093 -4.022 1.00 1.23 H new ATOM 0 HG2 PRO A 82 116.392 -1.981 -6.325 1.00 1.30 H new ATOM 0 HG3 PRO A 82 116.269 -2.856 -4.811 1.00 1.30 H new ATOM 0 HD2 PRO A 82 114.149 -1.338 -6.229 1.00 1.26 H new ATOM 0 HD3 PRO A 82 113.968 -2.480 -4.912 1.00 1.26 H new ATOM 1161 N GLY A 83 116.738 1.578 -2.402 1.00 0.99 N ATOM 1162 CA GLY A 83 117.041 2.989 -2.036 1.00 0.89 C ATOM 1163 C GLY A 83 117.393 3.050 -0.552 1.00 0.92 C ATOM 1164 O GLY A 83 117.798 2.065 0.038 1.00 1.02 O ATOM 0 H GLY A 83 117.237 0.879 -1.852 1.00 0.99 H new ATOM 0 HA2 GLY A 83 117.870 3.364 -2.636 1.00 0.89 H new ATOM 0 HA3 GLY A 83 116.182 3.626 -2.246 1.00 0.89 H new ATOM 1168 N ASP A 84 117.239 4.198 0.058 1.00 0.87 N ATOM 1169 CA ASP A 84 117.558 4.345 1.512 1.00 0.93 C ATOM 1170 C ASP A 84 116.283 4.690 2.279 1.00 0.83 C ATOM 1171 O ASP A 84 115.927 5.842 2.422 1.00 0.76 O ATOM 1172 CB ASP A 84 118.574 5.475 1.693 1.00 0.98 C ATOM 1173 CG ASP A 84 119.878 5.110 0.980 1.00 1.39 C ATOM 1174 OD1 ASP A 84 120.565 4.224 1.461 1.00 2.06 O ATOM 1175 OD2 ASP A 84 120.167 5.723 -0.034 1.00 2.13 O ATOM 0 H ASP A 84 116.903 5.048 -0.393 1.00 0.87 H new ATOM 0 HA ASP A 84 117.972 3.411 1.891 1.00 0.93 H new ATOM 0 HB2 ASP A 84 118.175 6.405 1.289 1.00 0.98 H new ATOM 0 HB3 ASP A 84 118.762 5.643 2.754 1.00 0.98 H new ATOM 1180 N TYR A 85 115.594 3.703 2.784 1.00 0.84 N ATOM 1181 CA TYR A 85 114.350 3.986 3.554 1.00 0.76 C ATOM 1182 C TYR A 85 114.756 4.431 4.960 1.00 0.80 C ATOM 1183 O TYR A 85 115.554 3.796 5.614 1.00 0.92 O ATOM 1184 CB TYR A 85 113.481 2.711 3.613 1.00 0.80 C ATOM 1185 CG TYR A 85 112.396 2.772 2.563 1.00 0.73 C ATOM 1186 CD1 TYR A 85 111.228 3.498 2.812 1.00 0.64 C ATOM 1187 CD2 TYR A 85 112.563 2.105 1.344 1.00 0.78 C ATOM 1188 CE1 TYR A 85 110.224 3.558 1.844 1.00 0.61 C ATOM 1189 CE2 TYR A 85 111.561 2.164 0.374 1.00 0.75 C ATOM 1190 CZ TYR A 85 110.388 2.891 0.622 1.00 0.67 C ATOM 1191 OH TYR A 85 109.397 2.949 -0.335 1.00 0.68 O ATOM 0 H TYR A 85 115.838 2.716 2.697 1.00 0.84 H new ATOM 0 HA TYR A 85 113.767 4.773 3.076 1.00 0.76 H new ATOM 0 HB2 TYR A 85 114.103 1.830 3.453 1.00 0.80 H new ATOM 0 HB3 TYR A 85 113.035 2.611 4.603 1.00 0.80 H new ATOM 0 HD1 TYR A 85 111.102 4.013 3.753 1.00 0.64 H new ATOM 0 HD2 TYR A 85 113.467 1.545 1.154 1.00 0.78 H new ATOM 0 HE1 TYR A 85 109.321 4.118 2.037 1.00 0.61 H new ATOM 0 HE2 TYR A 85 111.689 1.650 -0.567 1.00 0.75 H new ATOM 0 HH TYR A 85 108.560 3.248 0.078 1.00 0.68 H new ATOM 1201 N GLU A 86 114.219 5.532 5.411 1.00 0.73 N ATOM 1202 CA GLU A 86 114.568 6.072 6.768 1.00 0.78 C ATOM 1203 C GLU A 86 113.331 5.986 7.662 1.00 0.74 C ATOM 1204 O GLU A 86 112.268 6.435 7.294 1.00 0.68 O ATOM 1205 CB GLU A 86 115.032 7.555 6.641 1.00 0.78 C ATOM 1206 CG GLU A 86 115.161 7.961 5.164 1.00 0.72 C ATOM 1207 CD GLU A 86 116.388 7.280 4.555 1.00 0.85 C ATOM 1208 OE1 GLU A 86 116.752 6.219 5.036 1.00 1.26 O ATOM 1209 OE2 GLU A 86 116.942 7.830 3.617 1.00 1.53 O ATOM 0 H GLU A 86 113.542 6.092 4.893 1.00 0.73 H new ATOM 0 HA GLU A 86 115.379 5.489 7.204 1.00 0.78 H new ATOM 0 HB2 GLU A 86 114.318 8.209 7.142 1.00 0.78 H new ATOM 0 HB3 GLU A 86 115.990 7.686 7.144 1.00 0.78 H new ATOM 0 HG2 GLU A 86 114.263 7.674 4.617 1.00 0.72 H new ATOM 0 HG3 GLU A 86 115.253 9.044 5.080 1.00 0.72 H new ATOM 1216 N VAL A 87 113.466 5.407 8.828 1.00 0.81 N ATOM 1217 CA VAL A 87 112.301 5.277 9.757 1.00 0.78 C ATOM 1218 C VAL A 87 112.661 5.854 11.130 1.00 0.86 C ATOM 1219 O VAL A 87 113.751 5.649 11.636 1.00 0.99 O ATOM 1220 CB VAL A 87 111.948 3.792 9.878 1.00 0.84 C ATOM 1221 CG1 VAL A 87 112.976 3.067 10.752 1.00 1.00 C ATOM 1222 CG2 VAL A 87 110.555 3.643 10.494 1.00 0.83 C ATOM 0 H VAL A 87 114.340 5.016 9.179 1.00 0.81 H new ATOM 0 HA VAL A 87 111.445 5.830 9.370 1.00 0.78 H new ATOM 0 HB VAL A 87 111.958 3.348 8.883 1.00 0.84 H new ATOM 0 HG11 VAL A 87 112.710 2.013 10.828 1.00 1.00 H new ATOM 0 HG12 VAL A 87 113.965 3.161 10.304 1.00 1.00 H new ATOM 0 HG13 VAL A 87 112.985 3.511 11.747 1.00 1.00 H new ATOM 0 HG21 VAL A 87 110.306 2.585 10.579 1.00 0.83 H new ATOM 0 HG22 VAL A 87 110.544 4.099 11.484 1.00 0.83 H new ATOM 0 HG23 VAL A 87 109.821 4.138 9.858 1.00 0.83 H new ATOM 1232 N SER A 88 111.743 6.573 11.733 1.00 0.81 N ATOM 1233 CA SER A 88 111.999 7.176 13.081 1.00 0.91 C ATOM 1234 C SER A 88 110.868 6.793 14.029 1.00 0.87 C ATOM 1235 O SER A 88 109.825 7.413 14.049 1.00 0.84 O ATOM 1236 CB SER A 88 112.068 8.699 12.956 1.00 0.94 C ATOM 1237 OG SER A 88 110.753 9.219 12.810 1.00 1.59 O ATOM 0 H SER A 88 110.820 6.769 11.346 1.00 0.81 H new ATOM 0 HA SER A 88 112.945 6.803 13.473 1.00 0.91 H new ATOM 0 HB2 SER A 88 112.544 9.126 13.838 1.00 0.94 H new ATOM 0 HB3 SER A 88 112.679 8.978 12.097 1.00 0.94 H new ATOM 0 HG SER A 88 110.245 9.059 13.633 1.00 1.59 H new ATOM 1243 N ILE A 89 111.072 5.763 14.813 1.00 0.99 N ATOM 1244 CA ILE A 89 110.018 5.303 15.769 1.00 0.98 C ATOM 1245 C ILE A 89 110.408 5.687 17.202 1.00 1.08 C ATOM 1246 O ILE A 89 111.534 5.510 17.622 1.00 1.20 O ATOM 1247 CB ILE A 89 109.854 3.776 15.627 1.00 1.03 C ATOM 1248 CG1 ILE A 89 110.861 3.024 16.524 1.00 1.19 C ATOM 1249 CG2 ILE A 89 110.085 3.380 14.165 1.00 1.00 C ATOM 1250 CD1 ILE A 89 110.881 1.528 16.169 1.00 1.29 C ATOM 0 H ILE A 89 111.933 5.216 14.831 1.00 0.99 H new ATOM 0 HA ILE A 89 109.067 5.785 15.543 1.00 0.98 H new ATOM 0 HB ILE A 89 108.845 3.505 15.939 1.00 1.03 H new ATOM 0 HG12 ILE A 89 111.857 3.448 16.398 1.00 1.19 H new ATOM 0 HG13 ILE A 89 110.591 3.152 17.572 1.00 1.19 H new ATOM 0 HG21 ILE A 89 109.971 2.301 14.058 1.00 1.00 H new ATOM 0 HG22 ILE A 89 109.357 3.887 13.531 1.00 1.00 H new ATOM 0 HG23 ILE A 89 111.092 3.670 13.864 1.00 1.00 H new ATOM 0 HD11 ILE A 89 111.596 1.012 16.810 1.00 1.29 H new ATOM 0 HD12 ILE A 89 109.888 1.105 16.319 1.00 1.29 H new ATOM 0 HD13 ILE A 89 111.174 1.405 15.126 1.00 1.29 H new ATOM 1262 N LYS A 90 109.477 6.214 17.950 1.00 1.05 N ATOM 1263 CA LYS A 90 109.761 6.621 19.353 1.00 1.16 C ATOM 1264 C LYS A 90 108.541 6.319 20.216 1.00 1.11 C ATOM 1265 O LYS A 90 107.461 6.804 19.948 1.00 1.01 O ATOM 1266 CB LYS A 90 109.997 8.127 19.393 1.00 1.22 C ATOM 1267 CG LYS A 90 108.731 8.858 18.879 1.00 1.15 C ATOM 1268 CD LYS A 90 109.112 10.194 18.203 1.00 1.34 C ATOM 1269 CE LYS A 90 109.343 9.971 16.704 1.00 1.04 C ATOM 1270 NZ LYS A 90 110.536 9.100 16.507 1.00 1.58 N ATOM 0 H LYS A 90 108.519 6.381 17.643 1.00 1.05 H new ATOM 0 HA LYS A 90 110.635 6.082 19.719 1.00 1.16 H new ATOM 0 HB2 LYS A 90 110.226 8.444 20.411 1.00 1.22 H new ATOM 0 HB3 LYS A 90 110.857 8.388 18.777 1.00 1.22 H new ATOM 0 HG2 LYS A 90 108.201 8.223 18.169 1.00 1.15 H new ATOM 0 HG3 LYS A 90 108.050 9.045 19.709 1.00 1.15 H new ATOM 0 HD2 LYS A 90 108.319 10.927 18.353 1.00 1.34 H new ATOM 0 HD3 LYS A 90 110.013 10.601 18.662 1.00 1.34 H new ATOM 0 HE2 LYS A 90 108.464 9.508 16.255 1.00 1.04 H new ATOM 0 HE3 LYS A 90 109.491 10.927 16.202 1.00 1.04 H new ATOM 0 HZ1 LYS A 90 111.005 9.351 15.613 1.00 1.58 H new ATOM 0 HZ2 LYS A 90 111.199 9.236 17.296 1.00 1.58 H new ATOM 0 HZ3 LYS A 90 110.237 8.104 16.474 1.00 1.58 H new ATOM 1284 N PHE A 91 108.693 5.554 21.260 1.00 1.21 N ATOM 1285 CA PHE A 91 107.515 5.274 22.131 1.00 1.18 C ATOM 1286 C PHE A 91 107.309 6.475 23.057 1.00 1.22 C ATOM 1287 O PHE A 91 108.005 6.644 24.033 1.00 1.34 O ATOM 1288 CB PHE A 91 107.759 4.008 22.959 1.00 1.29 C ATOM 1289 CG PHE A 91 106.500 3.654 23.719 1.00 1.24 C ATOM 1290 CD1 PHE A 91 105.352 3.262 23.020 1.00 1.19 C ATOM 1291 CD2 PHE A 91 106.478 3.717 25.120 1.00 1.32 C ATOM 1292 CE1 PHE A 91 104.184 2.934 23.718 1.00 1.22 C ATOM 1293 CE2 PHE A 91 105.308 3.388 25.818 1.00 1.29 C ATOM 1294 CZ PHE A 91 104.162 2.997 25.116 1.00 1.24 C ATOM 0 H PHE A 91 109.568 5.115 21.547 1.00 1.21 H new ATOM 0 HA PHE A 91 106.627 5.115 21.519 1.00 1.18 H new ATOM 0 HB2 PHE A 91 108.047 3.184 22.307 1.00 1.29 H new ATOM 0 HB3 PHE A 91 108.584 4.168 23.654 1.00 1.29 H new ATOM 0 HD1 PHE A 91 105.368 3.213 21.941 1.00 1.19 H new ATOM 0 HD2 PHE A 91 107.363 4.019 25.661 1.00 1.32 H new ATOM 0 HE1 PHE A 91 103.299 2.632 23.177 1.00 1.22 H new ATOM 0 HE2 PHE A 91 105.291 3.436 26.897 1.00 1.29 H new ATOM 0 HZ PHE A 91 103.260 2.744 25.653 1.00 1.24 H new ATOM 1304 N ASN A 92 106.370 7.323 22.744 1.00 1.15 N ATOM 1305 CA ASN A 92 106.133 8.526 23.593 1.00 1.23 C ATOM 1306 C ASN A 92 107.319 9.489 23.444 1.00 1.32 C ATOM 1307 O ASN A 92 107.732 10.127 24.389 1.00 1.42 O ATOM 1308 CB ASN A 92 105.973 8.107 25.067 1.00 1.32 C ATOM 1309 CG ASN A 92 105.130 9.146 25.816 1.00 1.74 C ATOM 1310 OD1 ASN A 92 104.914 10.237 25.326 1.00 2.32 O ATOM 1311 ND2 ASN A 92 104.643 8.850 26.989 1.00 2.24 N ATOM 0 H ASN A 92 105.754 7.236 21.935 1.00 1.15 H new ATOM 0 HA ASN A 92 105.218 9.025 23.272 1.00 1.23 H new ATOM 0 HB2 ASN A 92 105.497 7.128 25.126 1.00 1.32 H new ATOM 0 HB3 ASN A 92 106.952 8.014 25.536 1.00 1.32 H new ATOM 0 HD21 ASN A 92 104.081 9.534 27.495 1.00 2.24 H new ATOM 0 HD22 ASN A 92 104.824 7.934 27.400 1.00 2.24 H new ATOM 1318 N ASP A 93 107.853 9.595 22.252 1.00 1.28 N ATOM 1319 CA ASP A 93 109.005 10.517 21.993 1.00 1.37 C ATOM 1320 C ASP A 93 110.329 9.930 22.487 1.00 1.45 C ATOM 1321 O ASP A 93 111.318 10.633 22.562 1.00 1.53 O ATOM 1322 CB ASP A 93 108.777 11.875 22.658 1.00 1.46 C ATOM 1323 CG ASP A 93 107.294 12.243 22.583 1.00 1.46 C ATOM 1324 OD1 ASP A 93 106.705 12.037 21.535 1.00 1.83 O ATOM 1325 OD2 ASP A 93 106.772 12.725 23.575 1.00 1.92 O ATOM 0 H ASP A 93 107.535 9.074 21.435 1.00 1.28 H new ATOM 0 HA ASP A 93 109.066 10.646 20.912 1.00 1.37 H new ATOM 0 HB2 ASP A 93 109.101 11.840 23.698 1.00 1.46 H new ATOM 0 HB3 ASP A 93 109.377 12.639 22.163 1.00 1.46 H new ATOM 1330 N GLU A 94 110.389 8.651 22.781 1.00 1.43 N ATOM 1331 CA GLU A 94 111.695 8.053 23.217 1.00 1.53 C ATOM 1332 C GLU A 94 112.294 7.333 22.012 1.00 1.52 C ATOM 1333 O GLU A 94 111.897 6.239 21.664 1.00 1.48 O ATOM 1334 CB GLU A 94 111.496 7.078 24.394 1.00 1.56 C ATOM 1335 CG GLU A 94 110.628 5.866 23.984 1.00 1.95 C ATOM 1336 CD GLU A 94 111.502 4.635 23.698 1.00 1.88 C ATOM 1337 OE1 GLU A 94 112.645 4.813 23.316 1.00 2.25 O ATOM 1338 OE2 GLU A 94 111.008 3.533 23.870 1.00 2.24 O ATOM 0 H GLU A 94 109.603 8.003 22.739 1.00 1.43 H new ATOM 0 HA GLU A 94 112.368 8.836 23.568 1.00 1.53 H new ATOM 0 HB2 GLU A 94 112.466 6.729 24.747 1.00 1.56 H new ATOM 0 HB3 GLU A 94 111.023 7.601 25.225 1.00 1.56 H new ATOM 0 HG2 GLU A 94 109.919 5.636 24.779 1.00 1.95 H new ATOM 0 HG3 GLU A 94 110.044 6.115 23.098 1.00 1.95 H new ATOM 1345 N HIS A 95 113.225 7.964 21.350 1.00 1.59 N ATOM 1346 CA HIS A 95 113.840 7.346 20.144 1.00 1.59 C ATOM 1347 C HIS A 95 114.711 6.164 20.557 1.00 1.71 C ATOM 1348 O HIS A 95 115.800 6.329 21.071 1.00 1.86 O ATOM 1349 CB HIS A 95 114.700 8.386 19.423 1.00 1.65 C ATOM 1350 CG HIS A 95 113.896 9.640 19.215 1.00 1.94 C ATOM 1351 ND1 HIS A 95 113.342 9.968 17.988 1.00 2.24 N ATOM 1352 CD2 HIS A 95 113.542 10.654 20.070 1.00 2.62 C ATOM 1353 CE1 HIS A 95 112.689 11.135 18.137 1.00 2.68 C ATOM 1354 NE2 HIS A 95 112.779 11.597 19.387 1.00 2.88 N ATOM 0 H HIS A 95 113.587 8.886 21.595 1.00 1.59 H new ATOM 0 HA HIS A 95 113.052 6.996 19.477 1.00 1.59 H new ATOM 0 HB2 HIS A 95 115.592 8.606 20.009 1.00 1.65 H new ATOM 0 HB3 HIS A 95 115.037 7.994 18.464 1.00 1.65 H new ATOM 0 HD2 HIS A 95 113.814 10.711 21.114 1.00 2.62 H new ATOM 0 HE1 HIS A 95 112.157 11.637 17.343 1.00 2.68 H new ATOM 0 HE2 HIS A 95 112.375 12.456 19.761 1.00 2.88 H new ATOM 1362 N ILE A 96 114.242 4.970 20.330 1.00 1.67 N ATOM 1363 CA ILE A 96 115.051 3.773 20.705 1.00 1.82 C ATOM 1364 C ILE A 96 116.466 3.931 20.113 1.00 1.88 C ATOM 1365 O ILE A 96 116.606 4.597 19.106 1.00 1.77 O ATOM 1366 CB ILE A 96 114.388 2.525 20.116 1.00 1.82 C ATOM 1367 CG1 ILE A 96 114.006 2.793 18.656 1.00 1.98 C ATOM 1368 CG2 ILE A 96 113.131 2.186 20.917 1.00 2.35 C ATOM 1369 CD1 ILE A 96 113.711 1.465 17.957 1.00 2.27 C ATOM 0 H ILE A 96 113.338 4.769 19.903 1.00 1.67 H new ATOM 0 HA ILE A 96 115.112 3.678 21.789 1.00 1.82 H new ATOM 0 HB ILE A 96 115.084 1.688 20.164 1.00 1.82 H new ATOM 0 HG12 ILE A 96 113.132 3.443 18.610 1.00 1.98 H new ATOM 0 HG13 ILE A 96 114.817 3.313 18.146 1.00 1.98 H new ATOM 0 HG21 ILE A 96 112.660 1.297 20.496 1.00 2.35 H new ATOM 0 HG22 ILE A 96 113.402 1.996 21.956 1.00 2.35 H new ATOM 0 HG23 ILE A 96 112.434 3.022 20.871 1.00 2.35 H new ATOM 0 HD11 ILE A 96 113.439 1.653 16.918 1.00 2.27 H new ATOM 0 HD12 ILE A 96 114.597 0.831 17.991 1.00 2.27 H new ATOM 0 HD13 ILE A 96 112.886 0.963 18.463 1.00 2.27 H new ATOM 1381 N PRO A 97 117.477 3.322 20.731 1.00 2.08 N ATOM 1382 CA PRO A 97 118.866 3.411 20.216 1.00 2.18 C ATOM 1383 C PRO A 97 118.922 2.850 18.781 1.00 2.06 C ATOM 1384 O PRO A 97 119.593 1.880 18.492 1.00 2.32 O ATOM 1385 CB PRO A 97 119.714 2.569 21.205 1.00 2.43 C ATOM 1386 CG PRO A 97 118.733 1.918 22.221 1.00 2.48 C ATOM 1387 CD PRO A 97 117.334 2.522 21.971 1.00 2.25 C ATOM 0 HA PRO A 97 119.239 4.433 20.159 1.00 2.18 H new ATOM 0 HB2 PRO A 97 120.278 1.804 20.672 1.00 2.43 H new ATOM 0 HB3 PRO A 97 120.439 3.198 21.721 1.00 2.43 H new ATOM 0 HG2 PRO A 97 118.711 0.836 22.093 1.00 2.48 H new ATOM 0 HG3 PRO A 97 119.057 2.112 23.244 1.00 2.48 H new ATOM 0 HD2 PRO A 97 116.583 1.741 21.852 1.00 2.25 H new ATOM 0 HD3 PRO A 97 117.018 3.145 22.808 1.00 2.25 H new ATOM 1395 N ASP A 98 118.204 3.469 17.893 1.00 2.10 N ATOM 1396 CA ASP A 98 118.164 3.021 16.478 1.00 1.98 C ATOM 1397 C ASP A 98 117.628 4.156 15.633 1.00 1.76 C ATOM 1398 O ASP A 98 118.257 4.599 14.692 1.00 1.73 O ATOM 1399 CB ASP A 98 117.226 1.815 16.344 1.00 1.95 C ATOM 1400 CG ASP A 98 117.832 0.605 17.056 1.00 2.28 C ATOM 1401 OD1 ASP A 98 118.803 0.070 16.549 1.00 2.64 O ATOM 1402 OD2 ASP A 98 117.314 0.235 18.096 1.00 2.65 O ATOM 0 H ASP A 98 117.629 4.287 18.094 1.00 2.10 H new ATOM 0 HA ASP A 98 119.164 2.738 16.151 1.00 1.98 H new ATOM 0 HB2 ASP A 98 116.252 2.051 16.773 1.00 1.95 H new ATOM 0 HB3 ASP A 98 117.063 1.585 15.291 1.00 1.95 H new ATOM 1407 N SER A 99 116.449 4.605 15.933 1.00 1.67 N ATOM 1408 CA SER A 99 115.841 5.684 15.119 1.00 1.48 C ATOM 1409 C SER A 99 116.657 6.982 15.267 1.00 1.62 C ATOM 1410 O SER A 99 117.084 7.290 16.362 1.00 1.87 O ATOM 1411 CB SER A 99 114.412 5.925 15.618 1.00 1.48 C ATOM 1412 OG SER A 99 114.073 7.295 15.443 1.00 2.00 O ATOM 0 H SER A 99 115.878 4.271 16.709 1.00 1.67 H new ATOM 0 HA SER A 99 115.833 5.390 14.069 1.00 1.48 H new ATOM 0 HB2 SER A 99 113.713 5.294 15.070 1.00 1.48 H new ATOM 0 HB3 SER A 99 114.332 5.651 16.670 1.00 1.48 H new ATOM 0 HG SER A 99 113.159 7.449 15.761 1.00 2.00 H new ATOM 1418 N PRO A 100 116.832 7.746 14.194 1.00 1.55 N ATOM 1419 CA PRO A 100 116.343 7.446 12.817 1.00 1.33 C ATOM 1420 C PRO A 100 117.378 6.560 12.080 1.00 1.33 C ATOM 1421 O PRO A 100 118.469 7.017 11.807 1.00 1.47 O ATOM 1422 CB PRO A 100 116.293 8.837 12.145 1.00 1.43 C ATOM 1423 CG PRO A 100 117.188 9.785 12.994 1.00 1.74 C ATOM 1424 CD PRO A 100 117.526 9.041 14.307 1.00 1.79 C ATOM 0 HA PRO A 100 115.388 6.921 12.805 1.00 1.33 H new ATOM 0 HB2 PRO A 100 116.655 8.782 11.118 1.00 1.43 H new ATOM 0 HB3 PRO A 100 115.269 9.208 12.103 1.00 1.43 H new ATOM 0 HG2 PRO A 100 118.098 10.042 12.452 1.00 1.74 H new ATOM 0 HG3 PRO A 100 116.668 10.719 13.204 1.00 1.74 H new ATOM 0 HD2 PRO A 100 118.602 8.905 14.419 1.00 1.79 H new ATOM 0 HD3 PRO A 100 117.183 9.599 15.178 1.00 1.79 H new ATOM 1432 N PHE A 101 117.062 5.318 11.734 1.00 1.25 N ATOM 1433 CA PHE A 101 118.076 4.469 10.991 1.00 1.36 C ATOM 1434 C PHE A 101 117.624 4.245 9.552 1.00 1.24 C ATOM 1435 O PHE A 101 116.468 4.406 9.215 1.00 1.16 O ATOM 1436 CB PHE A 101 118.288 3.110 11.670 1.00 1.55 C ATOM 1437 CG PHE A 101 116.991 2.352 11.825 1.00 1.46 C ATOM 1438 CD1 PHE A 101 116.243 2.522 12.979 1.00 1.50 C ATOM 1439 CD2 PHE A 101 116.564 1.449 10.846 1.00 1.78 C ATOM 1440 CE1 PHE A 101 115.070 1.810 13.180 1.00 1.83 C ATOM 1441 CE2 PHE A 101 115.375 0.730 11.037 1.00 2.18 C ATOM 1442 CZ PHE A 101 114.628 0.910 12.208 1.00 2.19 C ATOM 0 H PHE A 101 116.169 4.865 11.928 1.00 1.25 H new ATOM 0 HA PHE A 101 119.022 5.010 11.004 1.00 1.36 H new ATOM 0 HB2 PHE A 101 118.988 2.516 11.083 1.00 1.55 H new ATOM 0 HB3 PHE A 101 118.741 3.260 12.650 1.00 1.55 H new ATOM 0 HD1 PHE A 101 116.578 3.219 13.733 1.00 1.50 H new ATOM 0 HD2 PHE A 101 117.147 1.306 9.948 1.00 1.78 H new ATOM 0 HE1 PHE A 101 114.500 1.951 14.086 1.00 1.83 H new ATOM 0 HE2 PHE A 101 115.035 0.037 10.281 1.00 2.18 H new ATOM 0 HZ PHE A 101 113.714 0.355 12.359 1.00 2.19 H new ATOM 1452 N VAL A 102 118.547 3.888 8.694 1.00 1.28 N ATOM 1453 CA VAL A 102 118.206 3.664 7.260 1.00 1.21 C ATOM 1454 C VAL A 102 117.874 2.186 7.019 1.00 1.23 C ATOM 1455 O VAL A 102 118.403 1.303 7.664 1.00 1.34 O ATOM 1456 CB VAL A 102 119.402 4.068 6.392 1.00 1.31 C ATOM 1457 CG1 VAL A 102 120.636 3.265 6.806 1.00 1.44 C ATOM 1458 CG2 VAL A 102 119.084 3.792 4.921 1.00 1.29 C ATOM 0 H VAL A 102 119.529 3.742 8.930 1.00 1.28 H new ATOM 0 HA VAL A 102 117.336 4.267 6.999 1.00 1.21 H new ATOM 0 HB VAL A 102 119.601 5.131 6.528 1.00 1.31 H new ATOM 0 HG11 VAL A 102 121.484 3.556 6.186 1.00 1.44 H new ATOM 0 HG12 VAL A 102 120.866 3.465 7.852 1.00 1.44 H new ATOM 0 HG13 VAL A 102 120.439 2.201 6.675 1.00 1.44 H new ATOM 0 HG21 VAL A 102 119.936 4.080 4.304 1.00 1.29 H new ATOM 0 HG22 VAL A 102 118.881 2.730 4.786 1.00 1.29 H new ATOM 0 HG23 VAL A 102 118.209 4.370 4.623 1.00 1.29 H new ATOM 1468 N VAL A 103 117.002 1.923 6.078 1.00 1.15 N ATOM 1469 CA VAL A 103 116.607 0.517 5.745 1.00 1.19 C ATOM 1470 C VAL A 103 116.871 0.295 4.242 1.00 1.19 C ATOM 1471 O VAL A 103 115.989 0.500 3.435 1.00 1.10 O ATOM 1472 CB VAL A 103 115.113 0.344 6.039 1.00 1.11 C ATOM 1473 CG1 VAL A 103 114.631 -1.017 5.520 1.00 1.18 C ATOM 1474 CG2 VAL A 103 114.893 0.414 7.552 1.00 1.14 C ATOM 0 H VAL A 103 116.538 2.636 5.515 1.00 1.15 H new ATOM 0 HA VAL A 103 117.176 -0.201 6.335 1.00 1.19 H new ATOM 0 HB VAL A 103 114.552 1.135 5.541 1.00 1.11 H new ATOM 0 HG11 VAL A 103 113.568 -1.132 5.733 1.00 1.18 H new ATOM 0 HG12 VAL A 103 114.794 -1.074 4.444 1.00 1.18 H new ATOM 0 HG13 VAL A 103 115.188 -1.813 6.014 1.00 1.18 H new ATOM 0 HG21 VAL A 103 113.832 0.292 7.771 1.00 1.14 H new ATOM 0 HG22 VAL A 103 115.458 -0.381 8.039 1.00 1.14 H new ATOM 0 HG23 VAL A 103 115.232 1.381 7.925 1.00 1.14 H new ATOM 1484 N PRO A 104 118.089 -0.070 3.889 1.00 1.29 N ATOM 1485 CA PRO A 104 118.454 -0.256 2.471 1.00 1.30 C ATOM 1486 C PRO A 104 117.657 -1.397 1.815 1.00 1.33 C ATOM 1487 O PRO A 104 117.836 -2.561 2.122 1.00 1.44 O ATOM 1488 CB PRO A 104 119.973 -0.568 2.487 1.00 1.42 C ATOM 1489 CG PRO A 104 120.441 -0.533 3.971 1.00 1.49 C ATOM 1490 CD PRO A 104 119.187 -0.323 4.847 1.00 1.41 C ATOM 0 HA PRO A 104 118.222 0.630 1.880 1.00 1.30 H new ATOM 0 HB2 PRO A 104 120.168 -1.545 2.046 1.00 1.42 H new ATOM 0 HB3 PRO A 104 120.521 0.164 1.894 1.00 1.42 H new ATOM 0 HG2 PRO A 104 120.943 -1.463 4.237 1.00 1.49 H new ATOM 0 HG3 PRO A 104 121.158 0.273 4.128 1.00 1.49 H new ATOM 0 HD2 PRO A 104 118.982 -1.201 5.460 1.00 1.41 H new ATOM 0 HD3 PRO A 104 119.318 0.518 5.528 1.00 1.41 H new ATOM 1498 N VAL A 105 116.806 -1.063 0.880 1.00 1.25 N ATOM 1499 CA VAL A 105 116.029 -2.109 0.156 1.00 1.29 C ATOM 1500 C VAL A 105 116.867 -2.512 -1.071 1.00 1.35 C ATOM 1501 O VAL A 105 117.566 -1.688 -1.636 1.00 1.31 O ATOM 1502 CB VAL A 105 114.671 -1.520 -0.247 1.00 1.19 C ATOM 1503 CG1 VAL A 105 113.937 -2.452 -1.221 1.00 1.26 C ATOM 1504 CG2 VAL A 105 113.823 -1.346 1.011 1.00 1.15 C ATOM 0 H VAL A 105 116.616 -0.105 0.586 1.00 1.25 H new ATOM 0 HA VAL A 105 115.836 -2.989 0.769 1.00 1.29 H new ATOM 0 HB VAL A 105 114.833 -0.562 -0.741 1.00 1.19 H new ATOM 0 HG11 VAL A 105 112.977 -2.012 -1.492 1.00 1.26 H new ATOM 0 HG12 VAL A 105 114.540 -2.588 -2.119 1.00 1.26 H new ATOM 0 HG13 VAL A 105 113.772 -3.419 -0.745 1.00 1.26 H new ATOM 0 HG21 VAL A 105 112.853 -0.928 0.741 1.00 1.15 H new ATOM 0 HG22 VAL A 105 113.680 -2.315 1.490 1.00 1.15 H new ATOM 0 HG23 VAL A 105 114.330 -0.671 1.701 1.00 1.15 H new ATOM 1514 N ALA A 106 116.853 -3.775 -1.454 1.00 1.46 N ATOM 1515 CA ALA A 106 117.705 -4.236 -2.610 1.00 1.53 C ATOM 1516 C ALA A 106 116.894 -5.086 -3.611 1.00 1.59 C ATOM 1517 O ALA A 106 116.216 -6.017 -3.252 1.00 1.66 O ATOM 1518 CB ALA A 106 118.860 -5.076 -2.032 1.00 1.67 C ATOM 0 H ALA A 106 116.290 -4.505 -1.017 1.00 1.46 H new ATOM 0 HA ALA A 106 118.079 -3.368 -3.152 1.00 1.53 H new ATOM 0 HB1 ALA A 106 119.497 -5.426 -2.844 1.00 1.67 H new ATOM 0 HB2 ALA A 106 119.448 -4.464 -1.348 1.00 1.67 H new ATOM 0 HB3 ALA A 106 118.453 -5.933 -1.495 1.00 1.67 H new ATOM 1524 N SER A 107 116.976 -4.770 -4.872 1.00 1.59 N ATOM 1525 CA SER A 107 116.237 -5.547 -5.906 1.00 1.67 C ATOM 1526 C SER A 107 117.186 -6.587 -6.474 1.00 1.81 C ATOM 1527 O SER A 107 117.921 -6.336 -7.408 1.00 1.83 O ATOM 1528 CB SER A 107 115.770 -4.616 -7.026 1.00 1.60 C ATOM 1529 OG SER A 107 116.893 -3.929 -7.563 1.00 2.04 O ATOM 0 H SER A 107 117.531 -3.996 -5.236 1.00 1.59 H new ATOM 0 HA SER A 107 115.362 -6.024 -5.464 1.00 1.67 H new ATOM 0 HB2 SER A 107 115.272 -5.190 -7.808 1.00 1.60 H new ATOM 0 HB3 SER A 107 115.042 -3.902 -6.641 1.00 1.60 H new ATOM 0 HG SER A 107 117.639 -4.555 -7.670 1.00 2.04 H new ATOM 1535 N LEU A 108 117.196 -7.741 -5.886 1.00 1.98 N ATOM 1536 CA LEU A 108 118.119 -8.813 -6.350 1.00 2.16 C ATOM 1537 C LEU A 108 119.541 -8.249 -6.337 1.00 2.13 C ATOM 1538 O LEU A 108 120.472 -8.850 -6.837 1.00 2.33 O ATOM 1539 CB LEU A 108 117.738 -9.262 -7.769 1.00 2.25 C ATOM 1540 CG LEU A 108 116.551 -10.228 -7.703 1.00 2.76 C ATOM 1541 CD1 LEU A 108 115.389 -9.563 -6.961 1.00 3.20 C ATOM 1542 CD2 LEU A 108 116.109 -10.588 -9.123 1.00 3.20 C ATOM 0 H LEU A 108 116.601 -7.995 -5.097 1.00 1.98 H new ATOM 0 HA LEU A 108 118.052 -9.680 -5.693 1.00 2.16 H new ATOM 0 HB2 LEU A 108 117.481 -8.396 -8.378 1.00 2.25 H new ATOM 0 HB3 LEU A 108 118.588 -9.747 -8.248 1.00 2.25 H new ATOM 0 HG LEU A 108 116.849 -11.133 -7.173 1.00 2.76 H new ATOM 0 HD11 LEU A 108 114.545 -10.251 -6.915 1.00 3.20 H new ATOM 0 HD12 LEU A 108 115.703 -9.305 -5.949 1.00 3.20 H new ATOM 0 HD13 LEU A 108 115.090 -8.658 -7.490 1.00 3.20 H new ATOM 0 HD21 LEU A 108 115.264 -11.275 -9.078 1.00 3.20 H new ATOM 0 HD22 LEU A 108 115.812 -9.683 -9.652 1.00 3.20 H new ATOM 0 HD23 LEU A 108 116.935 -11.063 -9.652 1.00 3.20 H new ATOM 1554 N SER A 109 119.704 -7.089 -5.752 1.00 1.93 N ATOM 1555 CA SER A 109 121.048 -6.448 -5.671 1.00 1.92 C ATOM 1556 C SER A 109 121.639 -6.688 -4.285 1.00 2.00 C ATOM 1557 O SER A 109 122.840 -6.669 -4.104 1.00 2.09 O ATOM 1558 CB SER A 109 120.907 -4.950 -5.924 1.00 1.77 C ATOM 1559 OG SER A 109 120.363 -4.324 -4.771 1.00 2.06 O ATOM 0 H SER A 109 118.950 -6.553 -5.322 1.00 1.93 H new ATOM 0 HA SER A 109 121.710 -6.879 -6.422 1.00 1.92 H new ATOM 0 HB2 SER A 109 121.879 -4.517 -6.161 1.00 1.77 H new ATOM 0 HB3 SER A 109 120.261 -4.775 -6.785 1.00 1.77 H new ATOM 0 HG SER A 109 120.274 -3.362 -4.933 1.00 2.06 H new ATOM 1565 N ASP A 110 120.810 -6.907 -3.296 1.00 1.99 N ATOM 1566 CA ASP A 110 121.343 -7.138 -1.921 1.00 2.10 C ATOM 1567 C ASP A 110 122.343 -6.031 -1.600 1.00 2.06 C ATOM 1568 O ASP A 110 123.135 -6.129 -0.684 1.00 2.19 O ATOM 1569 CB ASP A 110 122.046 -8.497 -1.864 1.00 2.32 C ATOM 1570 CG ASP A 110 122.325 -8.867 -0.406 1.00 2.37 C ATOM 1571 OD1 ASP A 110 121.453 -9.455 0.213 1.00 2.61 O ATOM 1572 OD2 ASP A 110 123.405 -8.555 0.067 1.00 2.85 O ATOM 0 H ASP A 110 119.794 -6.936 -3.381 1.00 1.99 H new ATOM 0 HA ASP A 110 120.529 -7.130 -1.197 1.00 2.10 H new ATOM 0 HB2 ASP A 110 121.424 -9.260 -2.331 1.00 2.32 H new ATOM 0 HB3 ASP A 110 122.979 -8.459 -2.426 1.00 2.32 H new ATOM 1836 N ARG B 8 113.530 11.550 -2.611 1.00 0.48 N ATOM 1837 CA ARG B 8 112.965 10.172 -2.733 1.00 0.50 C ATOM 1838 C ARG B 8 111.437 10.284 -2.673 1.00 0.48 C ATOM 1839 O ARG B 8 110.757 10.227 -3.679 1.00 0.96 O ATOM 1840 CB ARG B 8 113.515 9.322 -1.568 1.00 0.67 C ATOM 1841 CG ARG B 8 114.918 9.835 -1.184 1.00 0.80 C ATOM 1842 CD ARG B 8 115.666 8.801 -0.311 1.00 1.18 C ATOM 1843 NE ARG B 8 116.220 9.464 0.917 1.00 1.76 N ATOM 1844 CZ ARG B 8 116.890 10.586 0.840 1.00 2.26 C ATOM 1845 NH1 ARG B 8 117.155 11.117 -0.322 1.00 3.04 N ATOM 1846 NH2 ARG B 8 117.312 11.165 1.931 1.00 2.64 N ATOM 0 HA ARG B 8 113.246 9.695 -3.672 1.00 0.50 H new ATOM 0 HB2 ARG B 8 112.845 9.382 -0.710 1.00 0.67 H new ATOM 0 HB3 ARG B 8 113.566 8.273 -1.860 1.00 0.67 H new ATOM 0 HG2 ARG B 8 115.494 10.039 -2.087 1.00 0.80 H new ATOM 0 HG3 ARG B 8 114.829 10.777 -0.643 1.00 0.80 H new ATOM 0 HD2 ARG B 8 114.988 7.997 -0.025 1.00 1.18 H new ATOM 0 HD3 ARG B 8 116.474 8.347 -0.884 1.00 1.18 H new ATOM 0 HE ARG B 8 116.071 9.032 1.829 1.00 1.76 H new ATOM 0 HH11 ARG B 8 116.840 10.658 -1.176 1.00 3.04 H new ATOM 0 HH12 ARG B 8 117.677 11.991 -0.376 1.00 3.04 H new ATOM 0 HH21 ARG B 8 117.119 10.743 2.839 1.00 2.64 H new ATOM 0 HH22 ARG B 8 117.834 12.039 1.875 1.00 2.64 H new ATOM 1860 N VAL B 9 110.904 10.485 -1.506 1.00 0.42 N ATOM 1861 CA VAL B 9 109.432 10.653 -1.352 1.00 0.36 C ATOM 1862 C VAL B 9 109.153 10.964 0.120 1.00 0.28 C ATOM 1863 O VAL B 9 110.024 10.850 0.960 1.00 0.38 O ATOM 1864 CB VAL B 9 108.675 9.378 -1.843 1.00 0.45 C ATOM 1865 CG1 VAL B 9 108.017 8.610 -0.685 1.00 0.67 C ATOM 1866 CG2 VAL B 9 107.578 9.769 -2.846 1.00 0.66 C ATOM 0 H VAL B 9 111.433 10.541 -0.635 1.00 0.42 H new ATOM 0 HA VAL B 9 109.068 11.475 -1.968 1.00 0.36 H new ATOM 0 HB VAL B 9 109.418 8.733 -2.312 1.00 0.45 H new ATOM 0 HG11 VAL B 9 107.503 7.732 -1.076 1.00 0.67 H new ATOM 0 HG12 VAL B 9 108.782 8.296 0.025 1.00 0.67 H new ATOM 0 HG13 VAL B 9 107.298 9.257 -0.181 1.00 0.67 H new ATOM 0 HG21 VAL B 9 107.056 8.873 -3.182 1.00 0.66 H new ATOM 0 HG22 VAL B 9 106.869 10.443 -2.365 1.00 0.66 H new ATOM 0 HG23 VAL B 9 108.030 10.269 -3.703 1.00 0.66 H new ATOM 1876 N ALA B 10 107.952 11.366 0.428 1.00 0.27 N ATOM 1877 CA ALA B 10 107.598 11.715 1.845 1.00 0.35 C ATOM 1878 C ALA B 10 106.451 10.837 2.342 1.00 0.26 C ATOM 1879 O ALA B 10 105.473 10.621 1.654 1.00 0.40 O ATOM 1880 CB ALA B 10 107.166 13.181 1.903 1.00 0.58 C ATOM 0 H ALA B 10 107.190 11.471 -0.242 1.00 0.27 H new ATOM 0 HA ALA B 10 108.469 11.550 2.479 1.00 0.35 H new ATOM 0 HB1 ALA B 10 106.907 13.444 2.929 1.00 0.58 H new ATOM 0 HB2 ALA B 10 107.984 13.815 1.562 1.00 0.58 H new ATOM 0 HB3 ALA B 10 106.299 13.330 1.260 1.00 0.58 H new ATOM 1886 N SER B 11 106.563 10.337 3.547 1.00 0.23 N ATOM 1887 CA SER B 11 105.478 9.479 4.112 1.00 0.22 C ATOM 1888 C SER B 11 105.440 9.649 5.633 1.00 0.23 C ATOM 1889 O SER B 11 106.464 9.708 6.287 1.00 0.30 O ATOM 1890 CB SER B 11 105.750 8.016 3.763 1.00 0.36 C ATOM 1891 OG SER B 11 105.422 7.797 2.399 1.00 1.19 O ATOM 0 H SER B 11 107.361 10.487 4.165 1.00 0.23 H new ATOM 0 HA SER B 11 104.518 9.776 3.689 1.00 0.22 H new ATOM 0 HB2 SER B 11 106.798 7.775 3.941 1.00 0.36 H new ATOM 0 HB3 SER B 11 105.159 7.360 4.402 1.00 0.36 H new ATOM 0 HG SER B 11 105.286 8.659 1.953 1.00 1.19 H new ATOM 1897 N SER B 12 104.266 9.735 6.206 1.00 0.27 N ATOM 1898 CA SER B 12 104.163 9.909 7.687 1.00 0.35 C ATOM 1899 C SER B 12 102.924 9.179 8.215 1.00 0.31 C ATOM 1900 O SER B 12 101.819 9.391 7.757 1.00 0.41 O ATOM 1901 CB SER B 12 104.050 11.398 8.015 1.00 0.52 C ATOM 1902 OG SER B 12 102.722 11.836 7.758 1.00 1.38 O ATOM 0 H SER B 12 103.374 9.692 5.712 1.00 0.27 H new ATOM 0 HA SER B 12 105.053 9.492 8.159 1.00 0.35 H new ATOM 0 HB2 SER B 12 104.307 11.573 9.060 1.00 0.52 H new ATOM 0 HB3 SER B 12 104.757 11.969 7.413 1.00 0.52 H new ATOM 0 HG SER B 12 102.206 11.103 7.362 1.00 1.38 H new ATOM 1908 N VAL B 13 103.109 8.323 9.182 1.00 0.27 N ATOM 1909 CA VAL B 13 101.961 7.571 9.762 1.00 0.27 C ATOM 1910 C VAL B 13 102.417 6.906 11.058 1.00 0.32 C ATOM 1911 O VAL B 13 103.599 6.897 11.377 1.00 0.41 O ATOM 1912 CB VAL B 13 101.491 6.505 8.770 1.00 0.32 C ATOM 1913 CG1 VAL B 13 102.663 5.595 8.395 1.00 0.42 C ATOM 1914 CG2 VAL B 13 100.366 5.665 9.392 1.00 0.41 C ATOM 0 H VAL B 13 104.015 8.111 9.599 1.00 0.27 H new ATOM 0 HA VAL B 13 101.135 8.252 9.966 1.00 0.27 H new ATOM 0 HB VAL B 13 101.114 6.998 7.874 1.00 0.32 H new ATOM 0 HG11 VAL B 13 102.324 4.837 7.689 1.00 0.42 H new ATOM 0 HG12 VAL B 13 103.454 6.190 7.938 1.00 0.42 H new ATOM 0 HG13 VAL B 13 103.047 5.109 9.292 1.00 0.42 H new ATOM 0 HG21 VAL B 13 100.039 4.909 8.678 1.00 0.41 H new ATOM 0 HG22 VAL B 13 100.733 5.176 10.295 1.00 0.41 H new ATOM 0 HG23 VAL B 13 99.526 6.312 9.646 1.00 0.41 H new ATOM 1924 N PHE B 14 101.502 6.350 11.812 1.00 0.36 N ATOM 1925 CA PHE B 14 101.914 5.693 13.083 1.00 0.45 C ATOM 1926 C PHE B 14 100.739 5.032 13.807 1.00 0.34 C ATOM 1927 O PHE B 14 99.641 4.933 13.299 1.00 0.35 O ATOM 1928 CB PHE B 14 102.529 6.723 14.018 1.00 0.59 C ATOM 1929 CG PHE B 14 101.483 7.696 14.527 1.00 0.71 C ATOM 1930 CD1 PHE B 14 100.859 8.584 13.642 1.00 0.70 C ATOM 1931 CD2 PHE B 14 101.157 7.726 15.889 1.00 1.40 C ATOM 1932 CE1 PHE B 14 99.908 9.494 14.117 1.00 1.03 C ATOM 1933 CE2 PHE B 14 100.210 8.637 16.364 1.00 1.79 C ATOM 1934 CZ PHE B 14 99.583 9.521 15.479 1.00 1.54 C ATOM 0 H PHE B 14 100.504 6.324 11.605 1.00 0.36 H new ATOM 0 HA PHE B 14 102.635 4.920 12.819 1.00 0.45 H new ATOM 0 HB2 PHE B 14 103.000 6.217 14.861 1.00 0.59 H new ATOM 0 HB3 PHE B 14 103.314 7.270 13.495 1.00 0.59 H new ATOM 0 HD1 PHE B 14 101.112 8.566 12.592 1.00 0.70 H new ATOM 0 HD2 PHE B 14 101.639 7.043 16.573 1.00 1.40 H new ATOM 0 HE1 PHE B 14 99.424 10.176 13.433 1.00 1.03 H new ATOM 0 HE2 PHE B 14 99.962 8.659 17.415 1.00 1.79 H new ATOM 0 HZ PHE B 14 98.849 10.223 15.846 1.00 1.54 H new ATOM 1944 N ILE B 15 100.995 4.586 15.017 1.00 0.34 N ATOM 1945 CA ILE B 15 99.946 3.920 15.848 1.00 0.33 C ATOM 1946 C ILE B 15 100.153 4.343 17.314 1.00 0.31 C ATOM 1947 O ILE B 15 101.134 4.979 17.653 1.00 0.58 O ATOM 1948 CB ILE B 15 100.079 2.380 15.735 1.00 0.51 C ATOM 1949 CG1 ILE B 15 100.532 1.967 14.318 1.00 0.62 C ATOM 1950 CG2 ILE B 15 98.736 1.709 16.045 1.00 0.83 C ATOM 1951 CD1 ILE B 15 99.435 2.242 13.275 1.00 1.25 C ATOM 0 H ILE B 15 101.906 4.659 15.469 1.00 0.34 H new ATOM 0 HA ILE B 15 98.955 4.214 15.501 1.00 0.33 H new ATOM 0 HB ILE B 15 100.829 2.056 16.456 1.00 0.51 H new ATOM 0 HG12 ILE B 15 101.436 2.513 14.050 1.00 0.62 H new ATOM 0 HG13 ILE B 15 100.786 0.907 14.310 1.00 0.62 H new ATOM 0 HG21 ILE B 15 98.842 0.627 15.962 1.00 0.83 H new ATOM 0 HG22 ILE B 15 98.426 1.967 17.058 1.00 0.83 H new ATOM 0 HG23 ILE B 15 97.984 2.055 15.336 1.00 0.83 H new ATOM 0 HD11 ILE B 15 99.787 1.940 12.289 1.00 1.25 H new ATOM 0 HD12 ILE B 15 98.540 1.675 13.530 1.00 1.25 H new ATOM 0 HD13 ILE B 15 99.200 3.306 13.266 1.00 1.25 H new ATOM 1963 N THR B 16 99.245 3.989 18.190 1.00 0.35 N ATOM 1964 CA THR B 16 99.402 4.368 19.631 1.00 0.47 C ATOM 1965 C THR B 16 98.869 3.240 20.519 1.00 0.31 C ATOM 1966 O THR B 16 97.906 2.577 20.188 1.00 0.35 O ATOM 1967 CB THR B 16 98.616 5.653 19.908 1.00 0.75 C ATOM 1968 OG1 THR B 16 98.394 5.779 21.306 1.00 1.61 O ATOM 1969 CG2 THR B 16 97.274 5.602 19.177 1.00 1.40 C ATOM 0 H THR B 16 98.404 3.455 17.972 1.00 0.35 H new ATOM 0 HA THR B 16 100.457 4.532 19.851 1.00 0.47 H new ATOM 0 HB THR B 16 99.186 6.511 19.552 1.00 0.75 H new ATOM 0 HG1 THR B 16 99.246 5.686 21.782 1.00 1.61 H new ATOM 0 HG21 THR B 16 96.716 6.517 19.376 1.00 1.40 H new ATOM 0 HG22 THR B 16 97.447 5.508 18.105 1.00 1.40 H new ATOM 0 HG23 THR B 16 96.700 4.744 19.529 1.00 1.40 H new ATOM 1977 N LEU B 17 99.494 3.015 21.650 1.00 0.39 N ATOM 1978 CA LEU B 17 99.031 1.926 22.569 1.00 0.44 C ATOM 1979 C LEU B 17 98.149 2.523 23.669 1.00 0.31 C ATOM 1980 O LEU B 17 98.437 3.572 24.212 1.00 0.54 O ATOM 1981 CB LEU B 17 100.247 1.243 23.207 1.00 0.72 C ATOM 1982 CG LEU B 17 101.267 0.867 22.124 1.00 0.83 C ATOM 1983 CD1 LEU B 17 102.380 0.014 22.745 1.00 1.06 C ATOM 1984 CD2 LEU B 17 100.575 0.070 21.008 1.00 1.32 C ATOM 0 H LEU B 17 100.306 3.539 21.977 1.00 0.39 H new ATOM 0 HA LEU B 17 98.457 1.194 22.001 1.00 0.44 H new ATOM 0 HB2 LEU B 17 100.708 1.910 23.936 1.00 0.72 H new ATOM 0 HB3 LEU B 17 99.931 0.350 23.746 1.00 0.72 H new ATOM 0 HG LEU B 17 101.694 1.777 21.703 1.00 0.83 H new ATOM 0 HD11 LEU B 17 103.105 -0.254 21.976 1.00 1.06 H new ATOM 0 HD12 LEU B 17 102.878 0.582 23.531 1.00 1.06 H new ATOM 0 HD13 LEU B 17 101.949 -0.893 23.169 1.00 1.06 H new ATOM 0 HD21 LEU B 17 101.305 -0.193 20.243 1.00 1.32 H new ATOM 0 HD22 LEU B 17 100.142 -0.839 21.425 1.00 1.32 H new ATOM 0 HD23 LEU B 17 99.786 0.677 20.563 1.00 1.32 H new